ethyl [2-nitro-4-(4-phenylpiperazine-1-carbonyl)benzene-1-sulfonyl]acetate
Chemical Structure Depiction of
ethyl [2-nitro-4-(4-phenylpiperazine-1-carbonyl)benzene-1-sulfonyl]acetate
ethyl [2-nitro-4-(4-phenylpiperazine-1-carbonyl)benzene-1-sulfonyl]acetate
Compound characteristics
| Compound ID: | K781-8416 |
| Compound Name: | ethyl [2-nitro-4-(4-phenylpiperazine-1-carbonyl)benzene-1-sulfonyl]acetate |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C21 H23 N3 O7 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1ccccc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.382 |
| logD: | 2.382 |
| logSw: | -2.7808 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 102.423 |
| InChI Key: | WPBNLTBPJRWTQY-UHFFFAOYSA-N |