methyl 2-({[4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 2-({[4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 2-({[4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V005-7193 |
| Compound Name: | methyl 2-({[4-(2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C23 H20 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2cccnc2)nnc1SCc1ccccc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2978 |
| logD: | 4.2936 |
| logSw: | -4.2567 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.103 |
| InChI Key: | QIOVDBPXVGOPPA-UHFFFAOYSA-N |