(3S,11E)-14,16-bis[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Chemical Structure Depiction of
(3S,11E)-14,16-bis[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
(3S,11E)-14,16-bis[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Compound characteristics
| Compound ID: | Y041-4730 |
| Compound Name: | (3S,11E)-14,16-bis[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione |
| Molecular Weight: | 603.49 |
| Molecular Formula: | C32 H30 Cl2 F2 O5 |
| Smiles: | C[C@H]1CCCC(CCC/C=C/c2cc(cc(c2C(=O)O1)OCc1c(cccc1[Cl])F)OCc1c(cccc1[Cl])F)=O |
| Stereo: | ABSOLUTE |
| logP: | 7.9079 |
| logD: | 7.9079 |
| logSw: | -6.7714 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.333 |
| InChI Key: | RNSINQOJPZZUEQ-FQEVSTJZSA-N |