ethyl 4-[4-(2-ethoxy-2-oxoethanesulfonyl)-3-nitrobenzoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(2-ethoxy-2-oxoethanesulfonyl)-3-nitrobenzoyl]piperazine-1-carboxylate
ethyl 4-[4-(2-ethoxy-2-oxoethanesulfonyl)-3-nitrobenzoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K781-8117 |
| Compound Name: | ethyl 4-[4-(2-ethoxy-2-oxoethanesulfonyl)-3-nitrobenzoyl]piperazine-1-carboxylate |
| Molecular Weight: | 457.46 |
| Molecular Formula: | C18 H23 N3 O9 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)C(=O)OCC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2845 |
| logD: | 1.2845 |
| logSw: | -2.3866 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 121.942 |
| InChI Key: | QHPHTBGDPYDIIL-UHFFFAOYSA-N |