N-tert-butyl-2-{[1,4-dimethyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-tert-butyl-2-{[1,4-dimethyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
N-tert-butyl-2-{[1,4-dimethyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V005-0114 |
| Compound Name: | N-tert-butyl-2-{[1,4-dimethyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C20 H27 N5 O7 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(N2CCOCC2)=O)nn(C)c1Oc1ccc(cc1S(NC(C)(C)C)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4573 |
| logD: | 1.457 |
| logSw: | -2.643 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.627 |
| InChI Key: | IRAXEBLJFGBTHZ-UHFFFAOYSA-N |