Chemical ID: 4753900

COc1ccc(cc1)C(=O)Nc2ccc(cc2)c3cn4c(n3)SCC4
Chemical ID:
4753900
Name [?]:
4-methoxy-N-[4-(4-thia-1,6-diazabicyclo[3.3.0]octa-5,7-dien-7-yl)phenyl]-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccc(cc2)c3cn4c(n3)SCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.8975
Area:566.181
Solvation:-4.25703
Coulombic:-41.3102
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.423
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.89
LogP (Chemaxon):4.02

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