N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-ethyl-N-[2-(morpholin-4-yl)ethyl]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'-ethyl-N-[2-(morpholin-4-yl)ethyl]urea
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-ethyl-N-[2-(morpholin-4-yl)ethyl]urea
Compound characteristics
| Compound ID: | V005-9303 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-ethyl-N-[2-(morpholin-4-yl)ethyl]urea |
| Molecular Weight: | 525.58 |
| Molecular Formula: | C27 H32 F N5 O5 |
| Smiles: | CCNC(N(CCN1CCOCC1)CC(N1C(CC(c2ccccc2F)=N1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6683 |
| logD: | 1.9176 |
| logSw: | -3.2708 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.823 |
| InChI Key: | AKLPXWRGVQJSDS-QHCPKHFHSA-N |