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DY 268

CAT: 0572-TRC-D824900-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D824900-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1609564-75-1
Synonyms
DY 268
Hazard Statement
No Data Available
Smiles
COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(c3)S(=O)(=O)N4CCOCC4)c(n2)c5ccc(C)cc5)c1
Molecular Formula
C30 H32 N4 O5 S
Molecular Weight
560.664
InChI
InChI=1S/C30H32N4O5S/c1-21-7-10-24(11-8-21)29-27(20-33(32-29)19-23-5-4-6-26(17-23)38-3)30(35)31-25-12-9-22(2)28(18-25)40(36,37)34-13-15-39-16-14-34/h4-12,17-18,20H,13-16,19H2,1-3H3,(H,31,35)
Additionnal Information
IUPAC name: 1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
Shipping Conditions
Room Temperature

Chemical Information

1-(3-methoxybenzyl)-N-(4-methyl-3-(morpholinosulfonyl)phenyl)-3-(p-tolyl)-1H-pyrazole-4-carboxamide
CAS Number1609564-75-1
PubChem CID90656831
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
Molecular FormulaC30H32N4O5S
Molecular Weight560.7
XLogP3.8
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity931
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4)CC5=CC(=CC=C5)OC
InChI
InChI=1S/C30H32N4O5S/c1-21-7-10-24(11-8-21)29-27(20-33(32-29)19-23-5-4-6-26(17-23)38-3)30(35)31-25-12-9-22(2)28(18-25)40(36,37)34-13-15-39-16-14-34/h4-12,17-18,20H,13-16,19H2,1-3H3,(H,31,35)
InChIKey
KQSPAAPFKIEUGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-methoxybenzyl)-N-(4-methyl-3-(morpholinosulfonyl)phenyl)-3-(p-tolyl)-1H-pyrazole-4-carboxamide
CAS: 1609564-75-1
CID: 90656831
Formula: C30H32N4O5S
MW: 560.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight560.7
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass560.20934131
Monoisotopic Mass560.20934131
Topological Polar Surface Area111 Ų
Heavy Atom Count40
Formal Charge0
Complexity931
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes