3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (4-chlorophenoxy)acetate
Chemical Structure Depiction of
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (4-chlorophenoxy)acetate
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (4-chlorophenoxy)acetate
Compound characteristics
| Compound ID: | C263-0338 |
| Compound Name: | 3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (4-chlorophenoxy)acetate |
| Molecular Weight: | 496.97 |
| Molecular Formula: | C25 H21 Cl N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c2ccccc2)c1OC(COc1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7503 |
| logD: | 4.7503 |
| logSw: | -4.9498 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.955 |
| InChI Key: | PUOCENPVBXUMIX-UHFFFAOYSA-N |