1-(4-chlorophenyl)-2-({5-[(phenylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-({5-[(phenylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(4-chlorophenyl)-2-({5-[(phenylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | G865-0030 |
| Compound Name: | 1-(4-chlorophenyl)-2-({5-[(phenylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 415.96 |
| Molecular Formula: | C20 H18 Cl N3 O S2 |
| Smiles: | C=CCn1c(CSc2ccccc2)nnc1SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6572 |
| logD: | 4.6572 |
| logSw: | -5.0714 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.442 |
| InChI Key: | ZEFMBVDUJJROTQ-UHFFFAOYSA-N |