4-({5-bromo-3-iodo-2-[(propan-2-yl)oxy]phenyl}methylidene)-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({5-bromo-3-iodo-2-[(propan-2-yl)oxy]phenyl}methylidene)-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
4-({5-bromo-3-iodo-2-[(propan-2-yl)oxy]phenyl}methylidene)-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y509-0335 |
| Compound Name: | 4-({5-bromo-3-iodo-2-[(propan-2-yl)oxy]phenyl}methylidene)-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 593.18 |
| Molecular Formula: | C21 H17 Br F3 I N2 O2 |
| Smiles: | CC(C)Oc1c(/C=C2/C(C)=NN(C2=O)c2cccc(c2)C(F)(F)F)cc(cc1I)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.8189 |
| logD: | 6.8189 |
| logSw: | -5.8593 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.563 |
| InChI Key: | GCTIOEZADXFDAW-UHFFFAOYSA-N |