4-benzyl-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-benzyl-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-benzyl-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: | F472-0664 |
| Compound Name: | 4-benzyl-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: | 492.6 |
| Molecular Formula: | C25 H28 N6 O3 S |
| Smiles: | CC(C)NC(CSc1nnc2N(Cc3ccccc3)C(c3ccc(cc3n12)C(NC(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6179 |
| logD: | 2.6179 |
| logSw: | -3.4268 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.688 |
| InChI Key: | CQPRVMJOIOJQTG-UHFFFAOYSA-N |