2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methylpropyl)-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methylpropyl)-5-nitrobenzene-1-sulfonamide
2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methylpropyl)-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V027-8676 |
| Compound Name: | 2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methylpropyl)-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 555.65 |
| Molecular Formula: | C27 H33 N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)CNS(c1cc(ccc1Oc1c(C)c(C(N2CCCC2)=O)nn1c1cc(C)ccc1C)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.549 |
| logD: | 5.5488 |
| logSw: | -5.3686 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.325 |
| InChI Key: | FMURUHHXCFBHNY-UHFFFAOYSA-N |