4-propyl-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-propyl-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-propyl-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0014 |
| Compound Name: | 4-propyl-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 418.44 |
| Molecular Formula: | C20 H17 F3 N4 O S |
| Smiles: | CCCN1C(c2ccccc2n2c1nnc2SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4411 |
| logD: | 4.4411 |
| logSw: | -4.3649 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.562 |
| InChI Key: | GXOSBRWMMFDXRE-UHFFFAOYSA-N |