1-{[(3-methylphenyl)methyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[(3-methylphenyl)methyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[(3-methylphenyl)methyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0032 |
| Compound Name: | 1-{[(3-methylphenyl)methyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C24 H27 N5 O2 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCc1cccc(C)c1)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2943 |
| logD: | 4.2943 |
| logSw: | -4.1585 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.221 |
| InChI Key: | BMESSUVWIVZTSB-UHFFFAOYSA-N |