N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-ethyl-N-[2-(morpholin-4-yl)ethyl]urea
Compound characteristics
| Compound ID: | V006-5356 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N'-ethyl-N-[2-(morpholin-4-yl)ethyl]urea |
| Molecular Weight: | 535.64 |
| Molecular Formula: | C29 H37 N5 O5 |
| Salt: | not_available |
| Smiles: | CCNC(N(CCN1CCOCC1)CC(N1C(CC(c2ccc(C)c(C)c2)=N1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7068 |
| logD: | 2.9561 |
| logSw: | -3.8682 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.823 |
| InChI Key: | PYSCLTOHGBEFOB-VWLOTQADSA-N |