Chemical ID: 4567096

CSCCC(C(=O)O)NC(=O)c1ccccc1NC(=O)c2ccccc2
Chemical ID:
4567096
Name [?]:
2-(2-benzamidobenzoyl)amino-4-methylsulfanyl-butanoic acid
SMILES [?]:
CSCCC(C(=O)O)NC(=O)c1ccccc1NC(=O)c2ccccc2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.3195
Area:605.957
Solvation:-3.82941
Coulombic:-72.9321
Bond Count [?]
All:27
Single:18
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:372.439
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.71
LogP (Chemaxon):3.25

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