1-{[(4-methylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[(4-methylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[(4-methylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0289 |
| Compound Name: | 1-{[(4-methylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C25 H29 N5 O2 S |
| Smiles: | CC(C)CN1C(c2ccc(cc2n2c1nnc2SCc1ccc(C)cc1)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2455 |
| logD: | 4.2455 |
| logSw: | -4.2035 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.243 |
| InChI Key: | XEVLJTNGARKCLY-UHFFFAOYSA-N |