Chemical ID: 4153163

CCOc1ccc(cc1)c2csc(n2)NC(=O)C(=Cc3ccc(cc3)OC)C#N
Chemical ID:
4153163
Name [?]:
2-cyano-N-[4-(4-ethoxyphenyl)thiazol-2-yl]-3-(4-methoxyphenyl)-prop-2-enamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)C(=Cc3ccc(cc3)OC)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H19N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.6774
Area:645.009
Solvation:-5.44785
Coulombic:-45.4217
Bond Count [?]
All:31
Single:20
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:405.471
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.0
LogP (Chemaxon):4.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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