ethyl [4-(4-cyclohexylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
Chemical Structure Depiction of
ethyl [4-(4-cyclohexylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
ethyl [4-(4-cyclohexylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
Compound characteristics
| Compound ID: | K781-9613 |
| Compound Name: | ethyl [4-(4-cyclohexylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate |
| Molecular Weight: | 467.54 |
| Molecular Formula: | C21 H29 N3 O7 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)C1CCCCC1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4038 |
| logD: | 2.2414 |
| logSw: | -2.6967 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 102.256 |
| InChI Key: | BBLZFMDWHFERSG-UHFFFAOYSA-N |