N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-chloro-N-methylbenzamide
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-chloro-N-methylbenzamide
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-chloro-N-methylbenzamide
Compound characteristics
| Compound ID: | V030-3749 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-chloro-N-methylbenzamide |
| Molecular Weight: | 510.38 |
| Molecular Formula: | C26 H21 Cl2 N3 O4 |
| Salt: | not_available |
| Smiles: | CN(CC(N1C(CC(c2ccccc2[Cl])=N1)c1ccc2c(c1)OCO2)=O)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8645 |
| logD: | 4.8645 |
| logSw: | -4.8926 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.125 |
| InChI Key: | SHYFMBZXDIRFSO-JOCHJYFZSA-N |