1-(3,4-dimethoxyphenyl)-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]ethan-1-one
1-(3,4-dimethoxyphenyl)-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | K940-0353 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C20 H23 N3 O7 S |
| Smiles: | COc1ccc(cc1OC)C(CN1CCN(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.913 |
| logD: | 1.913 |
| logSw: | -2.7485 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 97.379 |
| InChI Key: | YRLFBRWLDRNMKK-UHFFFAOYSA-N |