N-(2H-1,3-benzodioxol-5-yl)-2-[1,5-dioxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[1,5-dioxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[1,5-dioxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | F365-0229 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[1,5-dioxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetamide |
| Molecular Weight: | 483.48 |
| Molecular Formula: | C26 H21 N5 O5 |
| Smiles: | C(CN1C2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N2c2ccccc2C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5399 |
| logD: | 3.5399 |
| logSw: | -3.8258 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.178 |
| InChI Key: | KSHCUNCDIUBBHM-UHFFFAOYSA-N |