2-({[2-(4-ethylphenyl)-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-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
2-({[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | C523-1326 |
| Compound Name: | 2-({[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Smiles: | CCc1ccc(cc1)c1nc(CSCC(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.263 |
| logD: | 5.263 |
| logSw: | -5.0622 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.123 |
| InChI Key: | FAQXKTFEBYGUDV-UHFFFAOYSA-N |