N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-3-(3-fluorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-3-(3-fluorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-3-(3-fluorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Compound characteristics
| Compound ID: | C680-0852 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-3-(3-fluorophenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine |
| Molecular Weight: | 447.85 |
| Molecular Formula: | C23 H15 Cl F N5 O2 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1c2cc(ccc2n2c(c(c3cccc(c3)F)nn2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3367 |
| logD: | 5.3367 |
| logSw: | -6.1466 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.185 |
| InChI Key: | MNQLPHUGFHQYLL-UHFFFAOYSA-N |