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OICR-0547 5mg

CAT: 0628-A20877-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A20877-5Size:5 mg
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CAS Number
1801873-49-3

Chemical Information

N-[2-morpholin-4-yl-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

OICR-0547 is an aromatic amide.

CAS Number1801873-49-3
PubChem CID91801179
IUPAC NameN-[2-morpholin-4-yl-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
Molecular FormulaC28H29F3N4O4
Molecular Weight542.5
XLogP2
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity944
SMILES
C1COCCN1CC2=CC(=CC=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CNC(=O)C=C5C(F)(F)F
InChI
InChI=1S/C28H29F3N4O4/c29-28(30,31)23-16-26(36)32-17-22(23)27(37)33-24-15-21(4-5-25(24)35-8-12-39-13-9-35)20-3-1-2-19(14-20)18-34-6-10-38-11-7-34/h1-5,14-17H,6-13,18H2,(H,32,36)(H,33,37)
InChIKey
RFHOOFYUTGZPFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-morpholin-4-yl-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CAS: 1801873-49-3
CID: 91801179
Formula: C28H29F3N4O4
MW: 542.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.5
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass542.21408991
Monoisotopic Mass542.21408991
Topological Polar Surface Area83.1 Ų
Heavy Atom Count39
Formal Charge0
Complexity944
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

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