N-tert-butyl-2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-tert-butyl-2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
N-tert-butyl-2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V030-7312 |
| Compound Name: | N-tert-butyl-2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 555.65 |
| Molecular Formula: | C27 H33 N5 O6 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(c1)n1c(c(C)c(C(N2CCCC2)=O)n1)Oc1ccc(cc1S(NC(C)(C)C)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1775 |
| logD: | 5.1772 |
| logSw: | -5.0747 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.362 |
| InChI Key: | MYNRKVNBSGQOEG-UHFFFAOYSA-N |