1-{[2-(3,5-dimethylanilino)-2-oxoethyl]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-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[2-(3,5-dimethylanilino)-2-oxoethyl]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: | F472-0312 |
| Compound Name: | 1-{[2-(3,5-dimethylanilino)-2-oxoethyl]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: | 520.65 |
| Molecular Formula: | C27 H32 N6 O3 S |
| Smiles: | CC(C)CN1C(c2ccc(cc2n2c1nnc2SCC(Nc1cc(C)cc(C)c1)=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1906 |
| logD: | 4.1906 |
| logSw: | -4.248 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.392 |
| InChI Key: | JHTFTLSHSPEJDD-UHFFFAOYSA-N |