4-[(4-methylphenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-methylphenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0116 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 480.51 |
| Molecular Formula: | C25 H19 F3 N4 O S |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c2nnc3SCc2cccc(c2)C(F)(F)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6771 |
| logD: | 5.6771 |
| logSw: | -5.5782 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | KNDWAXSUUBFTGN-UHFFFAOYSA-N |