2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitro-N-(propan-2-yl)benzene-1-sulfonamide
2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
Compound ID: | V030-6085 |
Compound Name: | 2-{[1-(2,5-dimethylphenyl)-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitro-N-(propan-2-yl)benzene-1-sulfonamide |
Molecular Weight: | 557.63 |
Molecular Formula: | C26 H31 N5 O7 S |
Salt: | not_available |
Smiles: | CC(C)NS(c1cc(ccc1Oc1c(C)c(C(N2CCOCC2)=O)nn1c1cc(C)ccc1C)[N+]([O-])=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0499 |
logD: | 4.0497 |
logSw: | -4.1294 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 120.055 |
InChI Key: | KWMNPNOVXLRSNO-UHFFFAOYSA-N |