N-(butan-2-yl)-2-{[1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
N-(butan-2-yl)-2-{[1-(4-methoxyphenyl)-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V027-8724 |
| Compound Name: | N-(butan-2-yl)-2-{[1-(4-methoxyphenyl)-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 573.62 |
| Molecular Formula: | C26 H31 N5 O8 S |
| Salt: | not_available |
| Smiles: | CCC(C)NS(c1cc(ccc1Oc1c(C)c(C(N2CCOCC2)=O)nn1c1ccc(cc1)OC)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5265 |
| logD: | 3.5263 |
| logSw: | -3.8827 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.367 |
| InChI Key: | JLLFEVGDFCNZSU-KRWDZBQOSA-N |