1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-fluoro-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-fluoro-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-fluoro-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0466 |
| Compound Name: | 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-fluoro-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C22 H23 F N4 O S |
| Smiles: | CC(C)CN1C(c2cc(ccc2n2c1nnc2SCc1cc(C)ccc1C)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8161 |
| logD: | 5.8161 |
| logSw: | -5.4359 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.583 |
| InChI Key: | HTAOKKWDOIDKBJ-UHFFFAOYSA-N |