Chemical ID: 3926074

c1ccc(cc1)CN(CC(=O)NC2CCCC2)C(=O)CNC(=O)c3cccs3
Chemical ID:
3926074
Name [?]:
N-[(benzyl-(cyclopentylcarbamoylmethyl)carbamoyl)methyl]thiophene-2-carboxamide
SMILES [?]:
c1ccc(cc1)CN(CC(=O)NC2CCCC2)C(=O)CNC(=O)c3cccs3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H25N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.1848
Area:647.612
Solvation:-4.00549
Coulombic:-61.5716
Bond Count [?]
All:30
Single:22
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:399.508
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.91
LogP (Chemaxon):1.42

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