N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-(1-methyl-1H-pyrazole-4-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-(1-methyl-1H-pyrazole-4-sulfonyl)piperidine-3-carboxamide
N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-(1-methyl-1H-pyrazole-4-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | Y502-6898 |
| Compound Name: | N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-(1-methyl-1H-pyrazole-4-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 473.45 |
| Molecular Formula: | C18 H21 F2 N5 O6 S |
| Smiles: | Cn1cc(cn1)S(N1CCCC(C1)C(Nc1cc(cc(c1)OCC(F)F)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0802 |
| logD: | 0.9496 |
| logSw: | -2.4638 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.664 |
| InChI Key: | ULNNTWRCWOXEDS-LBPRGKRZSA-N |