N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-N'-propylurea
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-N'-propylurea
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-N'-propylurea
Compound characteristics
| Compound ID: | V026-0653 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-N'-propylurea |
| Molecular Weight: | 581.67 |
| Molecular Formula: | C30 H39 N5 O7 |
| Smiles: | CCCNC(N(CCN1CCOCC1)CC(N1C(CC(c2ccc(cc2OC)OC)=N1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3996 |
| logD: | 2.6489 |
| logSw: | -3.6629 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.213 |
| InChI Key: | WTKHTMQKBJNYTQ-VWLOTQADSA-N |