N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-N'-propylurea
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-N'-propylurea
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-N'-propylurea
Compound characteristics
| Compound ID: | V006-4833 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-N'-propylurea |
| Molecular Weight: | 484.53 |
| Molecular Formula: | C25 H29 F N4 O5 |
| Smiles: | CCCNC(N(CCOC)CC(N1C(CC(c2ccccc2F)=N1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.727 |
| logD: | 3.727 |
| logSw: | -3.8903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.762 |
| InChI Key: | QYDUNFBASNTRMC-OAQYLSRUSA-N |