Chemical ID: 4826564

c1cc(ccc1c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N)Cl
Chemical ID:
4826564
Name [?]:
3,7-diamino-5-(4-chlorophenyl)-4-cyano-9-thia-2-azabicyclo[4.3.0]nona-1,3,5,7-tetraene-8-carboxamide
SMILES [?]:
c1cc(ccc1c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H10ClN5OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.1063
Area:506.702
Solvation:-2.56122
Coulombic:-68.8225
Bond Count [?]
All:25
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:343.792
H-Bond Donors:6
H-Bond Acceptors:5
XLogP:2.67
LogP (Chemaxon):2.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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