N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-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-(4-chlorophenyl)-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E543-0307 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide |
| Molecular Weight: | 473.87 |
| Molecular Formula: | C24 H16 Cl N5 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc2C(Nc3c(c4ccc(cc4)[Cl])nnn3c2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4931 |
| logD: | 3.4931 |
| logSw: | -4.0745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.759 |
| InChI Key: | QPAHMYSIOMPZLV-UHFFFAOYSA-N |