N-(4-acetylphenyl)-2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F367-0814 |
| Compound Name: | N-(4-acetylphenyl)-2-{[8-chloro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 483.98 |
| Molecular Formula: | C23 H22 Cl N5 O3 S |
| Smiles: | CC(C)CN1C(c2ccc(cc2n2c1nnc2SCC(Nc1ccc(cc1)C(C)=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.877 |
| logD: | 3.8769 |
| logSw: | -4.3238 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.56 |
| InChI Key: | XBWDHTXOAZUGNR-UHFFFAOYSA-N |