Chemical ID: 4153281

CC(C)c1ccc(cc1)C=C(C#N)C(=O)Nc2nc(cs2)c3ccccc3
Chemical ID:
4153281
Name [?]:
2-cyano-3-(4-isopropylphenyl)-N-(4-phenylthiazol-2-yl)-prop-2-enamide
SMILES [?]:
CC(C)c1ccc(cc1)C=C(C#N)C(=O)Nc2nc(cs2)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H19N3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.8552
Area:615.109
Solvation:-2.52257
Coulombic:-33.8084
Bond Count [?]
All:29
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:373.472
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.16
LogP (Chemaxon):6.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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