ethyl 2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V011-8519 |
| Compound Name: | ethyl 2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 353.87 |
| Molecular Formula: | C16 H20 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(C)n1c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9829 |
| logD: | 3.9829 |
| logSw: | -4.2554 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.786 |
| InChI Key: | RUQXKGDYKCRSKU-AWEZNQCLSA-N |