7-fluoro-4-(2-methylpropyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
7-fluoro-4-(2-methylpropyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
7-fluoro-4-(2-methylpropyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0468 |
| Compound Name: | 7-fluoro-4-(2-methylpropyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 450.46 |
| Molecular Formula: | C21 H18 F4 N4 O S |
| Smiles: | CC(C)CN1C(c2cc(ccc2n2c1nnc2SCc1cccc(c1)C(F)(F)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3454 |
| logD: | 5.3454 |
| logSw: | -5.4277 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.583 |
| InChI Key: | RLJBXOOLPYKVJI-UHFFFAOYSA-N |