2-chloro-N-{[4-(methylsulfanyl)phenyl]methyl}-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide
Chemical Structure Depiction of
2-chloro-N-{[4-(methylsulfanyl)phenyl]methyl}-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide
2-chloro-N-{[4-(methylsulfanyl)phenyl]methyl}-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide
Compound characteristics
| Compound ID: | F617-0399 |
| Compound Name: | 2-chloro-N-{[4-(methylsulfanyl)phenyl]methyl}-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide |
| Molecular Weight: | 409.9 |
| Molecular Formula: | C20 H16 Cl N5 O S |
| Smiles: | CSc1ccc(CNC(c2ccc(cc2[Cl])n2c3c(cccn3)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7859 |
| logD: | 3.7856 |
| logSw: | -4.2408 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.121 |
| InChI Key: | OTZBKSZOTOIUAO-UHFFFAOYSA-N |