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W 66

CAT: 0931-T35094Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T35094Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
143306-00-7
Target
Others
Related Pathways
Others
Bioactivity
W 67 is a biochemical.
Smiles
NCCN(CCNCC=Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc2cnccc12 |w:8.7|
Molecular Formula
C22H25ClN4O2S
Molecular Weight
444.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Isoquinolinesulfonamide, N-(2-aminoethyl)-N-(2-((3-(4-chlorophenyl)-2-propenyl)amino)ethyl)-
CAS Number143306-00-7
PubChem CID6439460
IUPAC NameN-(2-aminoethyl)-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
Molecular FormulaC22H25ClN4O2S
Molecular Weight445.0
XLogP2.6
Topological Polar Surface Area96.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity632
SMILES
C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N(CCN)CCNC/C=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H25ClN4O2S/c23-20-8-6-18(7-9-20)3-2-12-25-14-16-27(15-11-24)30(28,29)22-5-1-4-19-17-26-13-10-21(19)22/h1-10,13,17,25H,11-12,14-16,24H2/b3-2+
InChIKey
DSFZLDPXONYEAS-NSCUHMNNSA-N
Chemical Structure
2D Structure
2D structure of 5-Isoquinolinesulfonamide, N-(2-aminoethyl)-N-(2-((3-(4-chlorophenyl)-2-propenyl)amino)ethyl)-
CAS: 143306-00-7
CID: 6439460
Formula: C22H25ClN4O2S
MW: 445.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.0
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass444.1386749
Monoisotopic Mass444.1386749
Topological Polar Surface Area96.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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