Chemical ID: 4490549

CCOC(=O)c1c2c(sc1NC(=O)c3ccco3)CC(CC2)(C#N)c4ccccc4
Chemical ID:
4490549
Name [?]:
ethyl 6-cyano-2-(2-furylcarbonylamino)-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c2c(sc1NC(=O)c3ccco3)CC(CC2)(C#N)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H20N2O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.1687
Area:647.756
Solvation:-4.02517
Coulombic:-53.5297
Bond Count [?]
All:33
Single:23
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:420.482
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.06
LogP (Chemaxon):4.56

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