N-(butan-2-yl)-2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-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-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
N-(butan-2-yl)-2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V018-0831 |
| Compound Name: | N-(butan-2-yl)-2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 555.65 |
| Molecular Formula: | C27 H33 N5 O6 S |
| Smiles: | CCC(C)NS(c1cc(ccc1Oc1c(C)c(C(N2CCCC2)=O)nn1c1cccc(C)c1C)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3103 |
| logD: | 5.3101 |
| logSw: | -5.3094 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.98 |
| InChI Key: | FJXCQIDOZTUDQU-SFHVURJKSA-N |