N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-methylbenzamide
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}-4-methoxy-N-methylbenzamide
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-methylbenzamide
Compound characteristics
| Compound ID: | V020-7620 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-methylbenzamide |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C25 H23 N3 O5 S |
| Smiles: | CN(CC(N1C(CC(c2cccs2)=N1)c1ccc2c(c1)OCO2)=O)C(c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8762 |
| logD: | 3.8762 |
| logSw: | -4.1198 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.687 |
| InChI Key: | FDYVMUJIOHEISE-HXUWFJFHSA-N |