N-tert-butyl-2-{[1-tert-butyl-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-tert-butyl-2-{[1-tert-butyl-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
N-tert-butyl-2-{[1-tert-butyl-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V008-4601 |
| Compound Name: | N-tert-butyl-2-{[1-tert-butyl-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C23 H33 N5 O6 S |
| Smiles: | Cc1c(C(N2CCCC2)=O)nn(c1Oc1ccc(cc1S(NC(C)(C)C)(=O)=O)[N+]([O-])=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 3.6662 |
| logD: | 3.666 |
| logSw: | -3.8982 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.63 |
| InChI Key: | ITZLULFXKAWXDZ-UHFFFAOYSA-N |