Chemical ID: 4819703

CC(C)c1ccc(cc1)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N
Chemical ID:
4819703
Name [?]:
3,7-diamino-4-cyano-5-(4-isopropylphenyl)-9-thia-2-azabicyclo[4.3.0]nona-1,3,5,7-tetraene-8-carboxamide
SMILES [?]:
CC(C)c1ccc(cc1)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17N5OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.078
Area:540.607
Solvation:-2.43713
Coulombic:-69.2745
Bond Count [?]
All:27
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:351.427
H-Bond Donors:6
H-Bond Acceptors:5
XLogP:3.45
LogP (Chemaxon):3.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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