2-{[4-methyl-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methylpropyl)-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
2-{[4-methyl-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methylpropyl)-5-nitrobenzene-1-sulfonamide
2-{[4-methyl-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methylpropyl)-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V027-3537 |
| Compound Name: | 2-{[4-methyl-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methylpropyl)-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 557.63 |
| Molecular Formula: | C26 H31 N5 O7 S |
| Salt: | not_available |
| Smiles: | CC(C)CNS(c1cc(ccc1Oc1c(C)c(C(N2CCOCC2)=O)nn1c1ccc(C)cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1423 |
| logD: | 4.1421 |
| logSw: | -4.219 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.169 |
| InChI Key: | XUMUDNNGUMOUNF-UHFFFAOYSA-N |