2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid
Chemical Structure Depiction of
2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid
2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid
Compound characteristics
| Compound ID: | V029-5201 |
| Compound Name: | 2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid |
| Molecular Weight: | 443.93 |
| Molecular Formula: | C19 H14 Cl N5 O2 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2ccncc2)nnc1SCc1nc(cs1)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9396 |
| logD: | 0.5137 |
| logSw: | -4.0708 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.749 |
| InChI Key: | ISNNSJSJCGPBDH-UHFFFAOYSA-N |