4-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-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: | F472-0687 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-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: | 506.63 |
| Molecular Formula: | C26 H30 N6 O3 S |
| Smiles: | CC(C)NC(CSc1nnc2N(Cc3ccc(C)cc3)C(c3ccc(cc3n12)C(NC(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0413 |
| logD: | 3.0413 |
| logSw: | -3.5093 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.688 |
| InChI Key: | NCIQNYWCSRRPJI-UHFFFAOYSA-N |