4-(2-methylpropyl)-5-oxo-1-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-(2-methylpropyl)-5-oxo-1-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-(2-methylpropyl)-5-oxo-1-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0317 |
| Compound Name: | 4-(2-methylpropyl)-5-oxo-1-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C22 H30 N6 O3 S |
| Smiles: | CC(C)CN1C(c2ccc(cc2n2c1nnc2SCC(NC(C)C)=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2572 |
| logD: | 2.2572 |
| logSw: | -2.9622 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.96 |
| InChI Key: | ANBSVSQNPSZAMU-UHFFFAOYSA-N |