N-(butan-2-yl)-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-(butan-2-yl)-2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
N-(butan-2-yl)-2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V018-0843 |
| Compound Name: | N-(butan-2-yl)-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 |
| Smiles: | CCC(C)NS(c1cc(ccc1Oc1c(C)c(C(N2CCOCC2)=O)nn1c1cccc(C)c1C)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4389 |
| logD: | 4.4387 |
| logSw: | -4.3474 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.522 |
| InChI Key: | LRWLQLNATXQNJK-SFHVURJKSA-N |