Chemical ID: 5890983

COc1ccccc1N2CCN(CC2)c3ccc(cc3C(=O)NCc4ccccc4)NC(=O)c5cccs5
Chemical ID:
5890983
Name [?]:
N-[3-(benzylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-phenyl]thiophene-2-carboxamide
SMILES [?]:
COc1ccccc1N2CCN(CC2)c3ccc(cc3C(=O)NCc4ccccc4)NC(=O)c5cccs5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C30H30N4O3S
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:13.7263
Area:796.555
Solvation:-6.18754
Coulombic:-65.1181
Bond Count [?]
All:42
Single:29
Double:13
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:526.65
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.07
LogP (Chemaxon):5.16

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