ethyl [(2-nitro-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}phenyl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(2-nitro-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}phenyl)sulfanyl]acetate
ethyl [(2-nitro-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}phenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | K781-2475 |
| Compound Name: | ethyl [(2-nitro-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}phenyl)sulfanyl]acetate |
| Molecular Weight: | 533.6 |
| Molecular Formula: | C25 H31 N3 O8 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)Cc1ccc(c(c1OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9122 |
| logD: | 2.7117 |
| logSw: | -3.479 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 96.731 |
| InChI Key: | WQLUBTRTAWRJMB-UHFFFAOYSA-N |