N-(2H-1,3-benzodioxol-5-yl)-2-[(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-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-{3-[(propan-2-yl)oxy]propyl}-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-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F367-0149 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C24 H25 N5 O5 S |
| Smiles: | CC(C)OCCCN1C(c2ccccc2n2c1nnc2SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7942 |
| logD: | 2.7942 |
| logSw: | -3.5695 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.028 |
| InChI Key: | YDSFMXUTKVUMNC-UHFFFAOYSA-N |