Chemical ID: 6926321

c1cc(ccc1C(F)(F)F)NC(=O)c2c(c3cc(c(nc3s2)N)C#N)N
Chemical ID:
6926321
Name [?]:
4,9-diamino-3-cyano-N-[4-(trifluoromethyl)phenyl]-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-carboxamide
SMILES [?]:
c1cc(ccc1C(F)(F)F)NC(=O)c2c(c3cc(c(nc3s2)N)C#N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H10F3N5OS
All Atoms:36
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3507
Area:547.442
Solvation:-3.3354
Coulombic:-81.7622
Bond Count [?]
All:28
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:377.345
H-Bond Donors:5
H-Bond Acceptors:5
XLogP:3.12
LogP (Chemaxon):3.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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