4-(2-methylpropyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-(2-methylpropyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-(2-methylpropyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0031 |
| Compound Name: | 4-(2-methylpropyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 432.47 |
| Molecular Formula: | C21 H19 F3 N4 O S |
| Smiles: | CC(C)CN1C(c2ccccc2n2c1nnc2SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.893 |
| logD: | 4.893 |
| logSw: | -4.6285 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.583 |
| InChI Key: | DZQWLTVGQAWOLC-UHFFFAOYSA-N |