2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | F367-0235 |
| Compound Name: | 2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C28 H27 N5 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1nnc2N(CCc3ccccc3)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3322 |
| logD: | 5.3322 |
| logSw: | -5.2593 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.44 |
| InChI Key: | QFUJXLKUBFOUMV-UHFFFAOYSA-N |