N-(2H-1,3-benzodioxol-5-yl)-2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F367-0250 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 499.55 |
| Molecular Formula: | C26 H21 N5 O4 S |
| Smiles: | C(CN1C(c2ccccc2n2c1nnc2SCC(Nc1ccc2c(c1)OCO2)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8271 |
| logD: | 3.8271 |
| logSw: | -4.1143 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.555 |
| InChI Key: | JTAJHBAFPNQCDI-UHFFFAOYSA-N |