4-benzyl-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-benzyl-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0082 |
| Compound Name: | 4-benzyl-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 466.48 |
| Molecular Formula: | C24 H17 F3 N4 O S |
| Smiles: | C(c1ccccc1)N1C(c2ccccc2n2c1nnc2SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2538 |
| logD: | 5.2538 |
| logSw: | -5.4978 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | PKCAJAFIWUWTQL-UHFFFAOYSA-N |