N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-(4-nitrobenzene-1-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-(4-nitrobenzene-1-sulfonyl)piperidine-4-carboxamide
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-(4-nitrobenzene-1-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | Y500-6854 |
| Compound Name: | N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-(4-nitrobenzene-1-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 441.89 |
| Molecular Formula: | C17 H20 Cl N5 O5 S |
| Smiles: | C1CN(CCC1C(NCCn1cc(cn1)[Cl])=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5167 |
| logD: | 1.5167 |
| logSw: | -2.8374 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.341 |
| InChI Key: | WRRDXZQFGMNATN-UHFFFAOYSA-N |