1-[3,5-dimethyl-4-(4-methylpiperidine-1-sulfonyl)-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one
Chemical Structure Depiction of
1-[3,5-dimethyl-4-(4-methylpiperidine-1-sulfonyl)-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one
1-[3,5-dimethyl-4-(4-methylpiperidine-1-sulfonyl)-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | G680-0465 |
| Compound Name: | 1-[3,5-dimethyl-4-(4-methylpiperidine-1-sulfonyl)-1H-pyrazol-1-yl]-2-(2-nitrophenoxy)ethan-1-one |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C19 H24 N4 O6 S |
| Smiles: | CC1CCN(CC1)S(c1c(C)nn(C(COc2ccccc2[N+]([O-])=O)=O)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5599 |
| logD: | 1.5599 |
| logSw: | -2.2818 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.702 |
| InChI Key: | MXFUEOHFYZDDDQ-UHFFFAOYSA-N |