N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[4-(3-methylbutyl)-5-oxo-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-[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
Compound characteristics
| Compound ID: | C741-1074 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Smiles: | CC(C)CCN1C(c2ccccc2n2c(CCC(NCc3ccc4c(c3)OCO4)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7892 |
| logD: | 2.7892 |
| logSw: | -3.5851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.543 |
| InChI Key: | CWRLAJRZSWDMKS-UHFFFAOYSA-N |