2-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
2-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | C523-0930 |
| Compound Name: | 2-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 486.98 |
| Molecular Formula: | C23 H23 Cl N4 O4 S |
| Smiles: | Cc1c(CSCC(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)nc(c2ccccc2[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 4.7388 |
| logD: | 4.7388 |
| logSw: | -4.8593 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.123 |
| InChI Key: | BDIINTOXUOJOLV-UHFFFAOYSA-N |