Chemical ID: 4659557

COc1ccc(cc1OC)NC(=O)c2c(c3cc(c(nc3s2)N)C#N)N
Chemical ID:
4659557
Name [?]:
4,9-diamino-3-cyano-N-(3,4-dimethoxyphenyl)-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-carboxamide
SMILES [?]:
COc1ccc(cc1OC)NC(=O)c2c(c3cc(c(nc3s2)N)C#N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H15N5O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.34411
Area:575.072
Solvation:-6.03269
Coulombic:-75.9302
Bond Count [?]
All:28
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.399
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:1.75
LogP (Chemaxon):2.1

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