5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0002 |
| Compound Name: | 5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 463.56 |
| Molecular Formula: | C24 H25 N5 O3 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCC(c1ccccc1)=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0678 |
| logD: | 3.0678 |
| logSw: | -3.6432 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.468 |
| InChI Key: | KZPATJLQRVVBAA-UHFFFAOYSA-N |