ethyl 4-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 4-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
ethyl 4-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | V030-9538 |
| Compound Name: | ethyl 4-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C19 H19 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(CCCSc1nnc(c2cccnc2)n1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5546 |
| logD: | 3.5504 |
| logSw: | -3.7886 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.661 |
| InChI Key: | AVYHSUDWIFSSPF-UHFFFAOYSA-N |