N-tert-butyl-2-{[4-methyl-1-(propan-2-yl)-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-tert-butyl-2-{[4-methyl-1-(propan-2-yl)-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
N-tert-butyl-2-{[4-methyl-1-(propan-2-yl)-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V027-4681 |
| Compound Name: | N-tert-butyl-2-{[4-methyl-1-(propan-2-yl)-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C22 H31 N5 O6 S |
| Smiles: | CC(C)n1c(c(C)c(C(N2CCCC2)=O)n1)Oc1ccc(cc1S(NC(C)(C)C)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4609 |
| logD: | 3.4607 |
| logSw: | -3.9467 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.267 |
| InChI Key: | VFXGLZRMLYWURZ-UHFFFAOYSA-N |