N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-N'-(2-methoxyphenyl)urea
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-N'-(2-methoxyphenyl)urea
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-N'-(2-methoxyphenyl)urea
Compound characteristics
| Compound ID: | V030-5432 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)-N'-(2-methoxyphenyl)urea |
| Molecular Weight: | 536.61 |
| Molecular Formula: | C27 H28 N4 O6 S |
| Salt: | not_available |
| Smiles: | COCCN(CC(N1C(CC(c2cccs2)=N1)c1ccc2c(c1)OCO2)=O)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4551 |
| logD: | 4.4551 |
| logSw: | -4.2531 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.278 |
| InChI Key: | KPVOOBVQCRHDPU-OAQYLSRUSA-N |