N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E543-0696 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide |
| Molecular Weight: | 469.46 |
| Molecular Formula: | C25 H19 N5 O5 |
| Smiles: | COc1ccc(cc1)c1c2NC(c3ccc(cc3n2nn1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8808 |
| logD: | 2.8807 |
| logSw: | -3.5164 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.303 |
| InChI Key: | BUOJGRDZFCKSIW-UHFFFAOYSA-N |