ethyl [4-(4-methylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
Chemical Structure Depiction of
ethyl [4-(4-methylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
ethyl [4-(4-methylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
Compound characteristics
| Compound ID: | K781-8617 |
| Compound Name: | ethyl [4-(4-methylpiperazine-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate |
| Molecular Weight: | 399.42 |
| Molecular Formula: | C16 H21 N3 O7 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(N1CCN(C)CC1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5648 |
| logD: | 0.4341 |
| logSw: | -2.2182 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 102.639 |
| InChI Key: | QWHPOVDTIDTTQH-UHFFFAOYSA-N |