2-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Chemical Structure Depiction of
2-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
2-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Compound characteristics
Compound ID: | C710-0060 |
Compound Name: | 2-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one |
Molecular Weight: | 377.24 |
Molecular Formula: | C15 H9 F6 N3 O2 |
Smiles: | c1ccc2c(c1)NC(N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N2O)=O |
Stereo: | ACHIRAL |
logP: | 4.0551 |
logD: | 3.9396 |
logSw: | -4.2861 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 48.615 |
InChI Key: | YSTUTVNWOXWGQG-UHFFFAOYSA-N |