N-(butan-2-yl)-2-{[1-ethyl-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-ethyl-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
N-(butan-2-yl)-2-{[1-ethyl-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Compound characteristics
Compound ID: | V005-0138 |
Compound Name: | N-(butan-2-yl)-2-{[1-ethyl-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide |
Molecular Weight: | 495.55 |
Molecular Formula: | C21 H29 N5 O7 S |
Salt: | not_available |
Smiles: | CCC(C)NS(c1cc(ccc1Oc1c(C)c(C(N2CCOCC2)=O)nn1CC)[N+]([O-])=O)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.1927 |
logD: | 2.1925 |
logSw: | -2.9088 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 120.684 |
InChI Key: | HGBAJTWPONPUHU-AWEZNQCLSA-N |