Chemical ID: 6882466

CCOc1ccc(cc1)C=CC(=O)Nc2c(c3c(s2)CC(CC3)C)C#N
Chemical ID:
6882466
Name [?]:
N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-ethoxyphenyl)-prop-2-enamide
SMILES [?]:
CCOc1ccc(cc1)C=CC(=O)Nc2c(c3c(s2)CC(CC3)C)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22N2O2S
All Atoms:48
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.9469
Area:588.81
Solvation:-3.77335
Coulombic:-32.6591
Bond Count [?]
All:28
Single:20
Double:7
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:366.478
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.98
LogP (Chemaxon):4.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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