ethyl [4-(4-ethylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
Chemical Structure Depiction of
ethyl [4-(4-ethylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
ethyl [4-(4-ethylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
Compound characteristics
| Compound ID: | K781-8624 |
| Compound Name: | ethyl [4-(4-ethylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C17 H23 N3 O7 S |
| Smiles: | CCN1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)S(CC(=O)OCC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9095 |
| logD: | 0.7333 |
| logSw: | -2.2572 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 102.699 |
| InChI Key: | CMMWHZPMTPNPLB-UHFFFAOYSA-N |