Chemical ID: 4318686

CCN(CC)C(=O)c1c2c(sc1NC(=O)c3ccccc3F)CC(CC2)C
Chemical ID:
4318686
Name [?]:
N,N-diethyl-2-(2-fluorobenzoyl)amino-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1c2c(sc1NC(=O)c3ccccc3F)CC(CC2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H25FN2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.3022
Area:575.319
Solvation:-4.08076
Coulombic:-42.5662
Bond Count [?]
All:29
Single:22
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:388.5
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.2
LogP (Chemaxon):4.47

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