Chemical ID: 4162320

COc1ccccc1C=CC(=O)Nc2c(c3c(s2)CCCC3)C#N
Chemical ID:
4162320
Name [?]:
N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2-methoxyphenyl)-prop-2-enamide
SMILES [?]:
COc1ccccc1C=CC(=O)Nc2c(c3c(s2)CCCC3)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.68417
Area:537.622
Solvation:-3.75639
Coulombic:-32.4673
Bond Count [?]
All:26
Single:18
Double:7
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:338.424
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.05
LogP (Chemaxon):3.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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