N-(5-chloro-2-methoxyphenyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
N-(5-chloro-2-methoxyphenyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | D494-0557 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide |
| Molecular Weight: | 437.89 |
| Molecular Formula: | C21 H20 Cl N7 O2 |
| Smiles: | Cc1cc(NCCC(Nc2cc(ccc2OC)[Cl])=O)n2c(n1)nc(c1cccnc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.1273 |
| logD: | 1.9628 |
| logSw: | -3.3035 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.604 |
| InChI Key: | MBYHWFREERFSJH-UHFFFAOYSA-N |