Chemical ID: 4147949

CCOC(=O)c1c2c(sc1NC(=O)C(=Cc3ccc(cc3)OC)C#N)CC(CC2)C
Chemical ID:
4147949
Name [?]:
ethyl 2-[2-cyano-3-(4-methoxyphenyl)-prop-2-enoyl]amino-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c2c(sc1NC(=O)C(=Cc3ccc(cc3)OC)C#N)CC(CC2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H24N2O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.8819
Area:658.127
Solvation:-4.57132
Coulombic:-51.7475
Bond Count [?]
All:32
Single:23
Double:8
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:424.514
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.63
LogP (Chemaxon):4.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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