4-benzyl-5-oxo-1-[(2-oxo-2-phenylethyl)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-phenylethyl)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-phenylethyl)sulfanyl]-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0634 |
| Compound Name: | 4-benzyl-5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 511.6 |
| Molecular Formula: | C28 H25 N5 O3 S |
| Smiles: | CC(C)NC(c1ccc2C(N(Cc3ccccc3)c3nnc(n3c2c1)SCC(c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8805 |
| logD: | 3.8805 |
| logSw: | -4.1095 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.218 |
| InChI Key: | DNJWOHDIGRAJMP-UHFFFAOYSA-N |