Chemical ID: 4827464

CCOC(=O)c1c2c(sc1NC(=O)C(=Cc3c[nH]c4c3cccc4)C#N)CC(CC2)C
Chemical ID:
4827464
Name [?]:
ethyl 2-[2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c2c(sc1NC(=O)C(=Cc3c[nH]c4c3cccc4)C#N)CC(CC2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H23N3O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.9848
Area:666.278
Solvation:-3.67219
Coulombic:-55.4436
Bond Count [?]
All:34
Single:24
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:433.524
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.79
LogP (Chemaxon):5.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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