N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-tert-butyl-N-(2-methoxyethyl)urea
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'-tert-butyl-N-(2-methoxyethyl)urea
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-tert-butyl-N-(2-methoxyethyl)urea
Compound characteristics
| Compound ID: | V007-3581 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-tert-butyl-N-(2-methoxyethyl)urea |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C26 H31 F N4 O5 |
| Smiles: | CC(C)(C)NC(N(CCOC)CC(N1C(CC(c2ccccc2F)=N1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0569 |
| logD: | 4.0569 |
| logSw: | -4.1433 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.744 |
| InChI Key: | JORPVTVJIDCZMI-NRFANRHFSA-N |