2-({[4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
2-({[4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
2-({[4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V031-0119 |
| Compound Name: | 2-({[4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C22 H19 N5 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1c(c2ccncc2)nnc1SCc1ccccc1C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6616 |
| logD: | 2.6616 |
| logSw: | -3.0841 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.529 |
| InChI Key: | ISISKWHVSUITOO-UHFFFAOYSA-N |