N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-3,3-dimethylbutanamide
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-3,3-dimethylbutanamide
Compound characteristics
Compound ID: | V027-4188 |
Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-3,3-dimethylbutanamide |
Molecular Weight: | 509.6 |
Molecular Formula: | C28 H35 N3 O6 |
Salt: | not_available |
Smiles: | CC(C)(C)CC(N(CCOC)CC(N1C(CC(c2ccc(cc2)OC)=N1)c1ccc2c(c1)OCO2)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6345 |
logD: | 4.6345 |
logSw: | -4.5437 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 75.794 |
InChI Key: | DVUMRWXVCKMNRC-QHCPKHFHSA-N |