4-{[4-(benzyloxy)-2,3-dibromo-5-methoxyphenyl]methylidene}-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[4-(benzyloxy)-2,3-dibromo-5-methoxyphenyl]methylidene}-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
4-{[4-(benzyloxy)-2,3-dibromo-5-methoxyphenyl]methylidene}-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-2809 |
| Compound Name: | 4-{[4-(benzyloxy)-2,3-dibromo-5-methoxyphenyl]methylidene}-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 624.25 |
| Molecular Formula: | C26 H19 Br2 F3 N2 O3 |
| Smiles: | CC1/C(=C\c2cc(c(c(c2[Br])[Br])OCc2ccccc2)OC)C(N(c2cccc(c2)C(F)(F)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.955 |
| logD: | 6.955 |
| logSw: | -5.8266 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.618 |
| InChI Key: | VSSNWAAJMGXIRS-UHFFFAOYSA-N |