2-methylpropyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
2-methylpropyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
2-methylpropyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 5596-0204 |
| Compound Name: | 2-methylpropyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 468.86 |
| Molecular Formula: | C23 H20 Cl F3 O5 |
| Smiles: | CC(C)COC(C(C)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9547 |
| logD: | 5.9547 |
| logSw: | -6.1009 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.196 |
| InChI Key: | SEBBCTSQAMDVDE-ZDUSSCGKSA-N |