Chemical ID: 4372662

CCNC(=O)c1c2c(sc1NC(=O)c3cccc(c3)Cl)CC(CC2)C(C)(C)C
Chemical ID:
4372662
Name [?]:
2-(3-chlorobenzoyl)amino-N-ethyl-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
CCNC(=O)c1c2c(sc1NC(=O)c3cccc(c3)Cl)CC(CC2)C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H27ClN2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.5253
Area:648.468
Solvation:-2.68638
Coulombic:-45.4537
Bond Count [?]
All:30
Single:23
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:418.981
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.78
LogP (Chemaxon):5.42

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