3,3-dimethyl-1-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]butan-2-one
Chemical Structure Depiction of
3,3-dimethyl-1-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]butan-2-one
3,3-dimethyl-1-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]butan-2-one
Compound characteristics
| Compound ID: | K940-0339 |
| Compound Name: | 3,3-dimethyl-1-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]butan-2-one |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C16 H23 N3 O5 S |
| Smiles: | CC(C)(C)C(CN1CCN(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0249 |
| logD: | 2.0247 |
| logSw: | -2.6942 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 82.39 |
| InChI Key: | QOGCGPBHYWWQPT-UHFFFAOYSA-N |