N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methylphenyl)-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methylphenyl)-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methylphenyl)-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E543-0209 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methylphenyl)-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide |
| Molecular Weight: | 453.46 |
| Molecular Formula: | C25 H19 N5 O4 |
| Smiles: | Cc1cccc(c1)c1c2NC(c3ccc(cc3n2nn1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.356 |
| logD: | 3.356 |
| logSw: | -3.6589 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.759 |
| InChI Key: | ZVWRWZUBVHJAOI-UHFFFAOYSA-N |