Chemical ID: 6319127

CCCNC(=O)c1c2c(sc1NC(=O)c3ccc(cc3)Br)CC(CC2)C(C)(C)C
Chemical ID:
6319127
Name [?]:
2-(4-bromobenzoyl)amino-N-propyl-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
CCCNC(=O)c1c2c(sc1NC(=O)c3ccc(cc3)Br)CC(CC2)C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H29BrN2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:14.135
Area:670.303
Solvation:-2.62255
Coulombic:-45.6525
Bond Count [?]
All:31
Single:24
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:477.459
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.32
LogP (Chemaxon):6.16

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