N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-3-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-3-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-3-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide
Compound characteristics
| Compound ID: | F646-0830 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-3-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide |
| Molecular Weight: | 452.31 |
| Molecular Formula: | C21 H18 Br N5 O2 |
| Smiles: | Cc1c(cccc1n1c2c(cccn2)nn1)C(NCc1cc(ccc1OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.741 |
| logD: | 3.741 |
| logSw: | -3.9587 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.45 |
| InChI Key: | NEFCKCQNAHCBRG-UHFFFAOYSA-N |