1-(2,5-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(2,5-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
1-(2,5-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V007-7734 |
| Compound Name: | 1-(2,5-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 583.66 |
| Molecular Formula: | C28 H33 N5 O7 S |
| Smiles: | Cc1ccc(C)c(c1)n1c(c(C)c(C(NCC2CCCO2)=O)n1)Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2277 |
| logD: | 4.2277 |
| logSw: | -4.3207 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.425 |
| InChI Key: | QMCRIAGPSDNMHC-JOCHJYFZSA-N |