N-tert-butyl-2-{[4-methyl-1-phenyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-tert-butyl-2-{[4-methyl-1-phenyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
N-tert-butyl-2-{[4-methyl-1-phenyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V001-7960 |
| Compound Name: | N-tert-butyl-2-{[4-methyl-1-phenyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 527.6 |
| Molecular Formula: | C25 H29 N5 O6 S |
| Smiles: | Cc1c(C(N2CCCC2)=O)nn(c2ccccc2)c1Oc1ccc(cc1S(NC(C)(C)C)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0972 |
| logD: | 4.097 |
| logSw: | -4.2911 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.663 |
| InChI Key: | IBBCDXWCRYWDCP-UHFFFAOYSA-N |