Chemical ID: 4752194

CC(C)(C)c1cc(=O)n2c([nH]1)c(c(n2)C(F)(F)F)c3ccccc3
Chemical ID:
4752194
Name [?]:
7-phenyl-4-tert-butyl-8-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-3,6,8-trien-2-one
SMILES [?]:
CC(C)(C)c1cc(=O)n2c([nH]1)c(c(n2)C(F)(F)F)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H16F3N3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.48871
Area:491.274
Solvation:-2.79315
Coulombic:-47.1879
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:335.324
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.46
LogP (Chemaxon):4.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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