3-(2H-1,3-benzodioxol-5-yl)-4-[4-(4-chlorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-4-[4-(4-chlorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate
3-(2H-1,3-benzodioxol-5-yl)-4-[4-(4-chlorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V008-3180 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-4-[4-(4-chlorobenzamido)phenyl]-1-(3-methylphenyl)-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 566.01 |
| Molecular Formula: | C32 H24 Cl N3 O5 |
| Smiles: | CC(=O)Oc1c(c2ccc(cc2)NC(c2ccc(cc2)[Cl])=O)c(c2ccc3c(c2)OCO3)nn1c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.1879 |
| logD: | 7.1875 |
| logSw: | -6.4684 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.781 |
| InChI Key: | YPRVTUDTTFKAEE-UHFFFAOYSA-N |