Chemical ID: 5821358

COc1ccc(cc1)C=C(C#N)C(=O)Nc2nc(cs2)c3ccc(cc3)Cl
Chemical ID:
5821358
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]-2-cyano-3-(4-methoxyphenyl)-prop-2-enamide
SMILES [?]:
COc1ccc(cc1)C=C(C#N)C(=O)Nc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H14ClN3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.5313
Area:622.258
Solvation:-4.02512
Coulombic:-39.4839
Bond Count [?]
All:29
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:395.863
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.29
LogP (Chemaxon):5.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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