N-tert-butyl-2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-tert-butyl-2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
N-tert-butyl-2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V030-7349 |
| Compound Name: | N-tert-butyl-2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 571.65 |
| Molecular Formula: | C27 H33 N5 O7 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1C)n1c(c(C)c(C(N2CCOCC2)=O)n1)Oc1ccc(cc1S(NC(C)(C)C)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2422 |
| logD: | 4.2419 |
| logSw: | -4.3792 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.905 |
| InChI Key: | KXANETDFBDIVSH-UHFFFAOYSA-N |