7-chloro-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-chloro-4-(2-methylpropyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
7-chloro-4-(2-methylpropyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0418 |
| Compound Name: | 7-chloro-4-(2-methylpropyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 466.91 |
| Molecular Formula: | C21 H18 Cl F3 N4 O S |
| Smiles: | CC(C)CN1C(c2cc(ccc2n2c1nnc2SCc1cccc(c1)C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8008 |
| logD: | 5.8008 |
| logSw: | -5.9392 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.583 |
| InChI Key: | VXLRIJVBRPJKJR-UHFFFAOYSA-N |