ethyl [4-(4-benzylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
Chemical Structure Depiction of
ethyl [4-(4-benzylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
ethyl [4-(4-benzylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
Compound characteristics
| Compound ID: | K781-9601 |
| Compound Name: | ethyl [4-(4-benzylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C22 H25 N3 O7 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)Cc1ccccc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.063 |
| logD: | 2.0476 |
| logSw: | -2.7453 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 102.703 |
| InChI Key: | TYVRRJGZYGHGJS-UHFFFAOYSA-N |