N'-tert-butyl-N-{2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]urea
Chemical Structure Depiction of
N'-tert-butyl-N-{2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]urea
N'-tert-butyl-N-{2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]urea
Compound characteristics
| Compound ID: | V027-2922 |
| Compound Name: | N'-tert-butyl-N-{2-[5-(2-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]urea |
| Molecular Weight: | 544.07 |
| Molecular Formula: | C28 H35 Cl F N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N(CCN1CCOCC1)CC(N1C(CC(c2ccc(cc2)F)=N1)c1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4637 |
| logD: | 3.713 |
| logSw: | -4.4018 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.906 |
| InChI Key: | VAQGEXOUJHWJID-VWLOTQADSA-N |