3-(4-chlorophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 5-chloro-1,3-diphenyl-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
3-(4-chlorophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 5-chloro-1,3-diphenyl-1H-pyrazole-4-carboxylate
3-(4-chlorophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 5-chloro-1,3-diphenyl-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | 1683-5911 |
| Compound Name: | 3-(4-chlorophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 5-chloro-1,3-diphenyl-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 651.43 |
| Molecular Formula: | C33 H19 Cl2 F3 N2 O5 |
| Smiles: | Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccc(cc1)[Cl])=O)OC(c1c(c2ccccc2)nn(c2ccccc2)c1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 8.1974 |
| logD: | 8.1974 |
| logSw: | -6.6066 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.485 |
| InChI Key: | JCCPLKXKMYASFW-UHFFFAOYSA-N |