ethyl [(4-{4-[(4-chlorophenyl)(phenyl)methyl]piperazine-1-carbonyl}-2-nitrophenyl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(4-{4-[(4-chlorophenyl)(phenyl)methyl]piperazine-1-carbonyl}-2-nitrophenyl)sulfanyl]acetate
ethyl [(4-{4-[(4-chlorophenyl)(phenyl)methyl]piperazine-1-carbonyl}-2-nitrophenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | K781-2473 |
| Compound Name: | ethyl [(4-{4-[(4-chlorophenyl)(phenyl)methyl]piperazine-1-carbonyl}-2-nitrophenyl)sulfanyl]acetate |
| Molecular Weight: | 554.06 |
| Molecular Formula: | C28 H28 Cl N3 O5 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)C(c1ccccc1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.499 |
| logD: | 5.4985 |
| logSw: | -6.0485 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.687 |
| InChI Key: | ALTVYPXWGGJCBP-MHZLTWQESA-N |