N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-(2-methoxyphenyl)-N-methylurea
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-(2-methoxyphenyl)-N-methylurea
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-(2-methoxyphenyl)-N-methylurea
Compound characteristics
| Compound ID: | V029-5987 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-(2-methoxyphenyl)-N-methylurea |
| Molecular Weight: | 504.52 |
| Molecular Formula: | C27 H25 F N4 O5 |
| Salt: | not_available |
| Smiles: | CN(CC(N1C(CC(c2ccc(cc2)F)=N1)c1ccc2c(c1)OCO2)=O)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5987 |
| logD: | 4.5986 |
| logSw: | -4.4154 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.878 |
| InChI Key: | WYWWBMWRXUOWRI-JOCHJYFZSA-N |