N-tert-butyl-2-{[1-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-tert-butyl-2-{[1-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
N-tert-butyl-2-{[1-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V030-6746 |
| Compound Name: | N-tert-butyl-2-{[1-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C19 H25 N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)NS(c1cc(ccc1Oc1cc(C(N2CCCC2)=O)nn1C)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1477 |
| logD: | 2.1474 |
| logSw: | -3.0136 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.452 |
| InChI Key: | VMUAIFVMYZNOBG-UHFFFAOYSA-N |