7-methyl-4-(3-methylbutyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
7-methyl-4-(3-methylbutyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
7-methyl-4-(3-methylbutyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0249 |
| Compound Name: | 7-methyl-4-(3-methylbutyl)-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 460.52 |
| Molecular Formula: | C23 H23 F3 N4 O S |
| Smiles: | CC(C)CCN1C(c2cc(C)ccc2n2c1nnc2SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8638 |
| logD: | 5.8638 |
| logSw: | -5.5631 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.562 |
| InChI Key: | ZDADOIUCDXALFD-UHFFFAOYSA-N |