N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-N'-(propan-2-yl)urea
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-N'-(propan-2-yl)urea
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-N'-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V013-1277 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-N'-(propan-2-yl)urea |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C25 H30 N4 O6 |
| Smiles: | CC(C)NC(N(C)CC(N1C(CC(c2ccc(cc2OC)OC)=N1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5796 |
| logD: | 3.5796 |
| logSw: | -3.8532 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.688 |
| InChI Key: | BLFXMURRWGDOCE-FQEVSTJZSA-N |