2-[({5-methyl-2-[4-(methylsulfanyl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[({5-methyl-2-[4-(methylsulfanyl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
2-[({5-methyl-2-[4-(methylsulfanyl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | C523-1194 |
| Compound Name: | 2-[({5-methyl-2-[4-(methylsulfanyl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C24 H26 N4 O4 S2 |
| Smiles: | Cc1c(CSCC(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)nc(c2ccc(cc2)SC)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0517 |
| logD: | 5.0517 |
| logSw: | -4.6564 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.123 |
| InChI Key: | IDUWYVJOYZOAPA-UHFFFAOYSA-N |