N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Compound characteristics
| Compound ID: | C680-0545 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine |
| Molecular Weight: | 409.45 |
| Molecular Formula: | C24 H19 N5 O2 |
| Smiles: | Cc1cccc(c1)c1c2nc(c3ccccc3n2nn1)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.8788 |
| logD: | 4.8786 |
| logSw: | -4.9149 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.185 |
| InChI Key: | KBQYIIAMKBIJBP-UHFFFAOYSA-N |