N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)propanamide
Compound characteristics
| Compound ID: | C741-1159 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)propanamide |
| Molecular Weight: | 491.55 |
| Molecular Formula: | C26 H29 N5 O5 |
| Smiles: | CC(C)OCCCN1C(c2ccccc2n2c(CCC(NCc3ccc4c(c3)OCO4)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8788 |
| logD: | 1.8788 |
| logSw: | -2.7936 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.744 |
| InChI Key: | MPGRQGVROOCWHL-UHFFFAOYSA-N |