2-({[4-(3-chlorophenyl)-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-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid
2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid
Compound characteristics
| Compound ID: | V026-7061 |
| Compound Name: | 2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid |
| Molecular Weight: | 429.9 |
| Molecular Formula: | C18 H12 Cl N5 O2 S2 |
| Salt: | not_available |
| Smiles: | C(c1nc(cs1)C(O)=O)Sc1nnc(c2ccncc2)n1c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4908 |
| logD: | 0.0648 |
| logSw: | -3.8172 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.05 |
| InChI Key: | DWCXPOHQIYASRO-UHFFFAOYSA-N |