N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-oxo-4-(2-phenylethyl)-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-(2-phenylethyl)-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-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
Compound characteristics
| Compound ID: | C741-0777 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide |
| Molecular Weight: | 495.54 |
| Molecular Formula: | C28 H25 N5 O4 |
| Smiles: | C(Cc1nnc2N(CCc3ccccc3)C(c3ccccc3n12)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9117 |
| logD: | 2.9117 |
| logSw: | -3.6436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.272 |
| InChI Key: | UTUDZSVLFBLVTH-UHFFFAOYSA-N |