4-[(4-fluorophenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-fluorophenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0099 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 484.47 |
| Molecular Formula: | C24 H16 F4 N4 O S |
| Smiles: | C(c1ccc(cc1)F)N1C(c2ccccc2n2c1nnc2SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2828 |
| logD: | 5.2828 |
| logSw: | -5.6427 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | JLKSNNSLCNVVQF-UHFFFAOYSA-N |