Chemical ID: 6873640

CCOc1ccc(cc1OCC)C=CC(=O)Nc2c(c3c(s2)CC(CC3)C)C#N
Chemical ID:
6873640
Name [?]:
N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3,4-diethoxyphenyl)-prop-2-enamide
SMILES [?]:
CCOc1ccc(cc1OCC)C=CC(=O)Nc2c(c3c(s2)CC(CC3)C)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26N2O3S
All Atoms:55
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.5002
Area:650.791
Solvation:-5.76958
Coulombic:-39.1948
Bond Count [?]
All:31
Single:23
Double:7
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:410.53
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.05
LogP (Chemaxon):4.44

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue