(3S)-14,16-bis[(3,4-dichlorophenyl)methoxy]-3-methyl-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Chemical Structure Depiction of
(3S)-14,16-bis[(3,4-dichlorophenyl)methoxy]-3-methyl-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
(3S)-14,16-bis[(3,4-dichlorophenyl)methoxy]-3-methyl-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Compound characteristics
| Compound ID: | Y041-4779 |
| Compound Name: | (3S)-14,16-bis[(3,4-dichlorophenyl)methoxy]-3-methyl-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione |
| Molecular Weight: | 638.42 |
| Molecular Formula: | C32 H32 Cl4 O5 |
| Smiles: | C[C@H]1CCCC(CCCCCc2cc(cc(c2C(=O)O1)OCc1ccc(c(c1)[Cl])[Cl])OCc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ABSOLUTE |
| logP: | 9.4219 |
| logD: | 9.4219 |
| logSw: | -7.0282 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.333 |
| InChI Key: | AHZCEBQOMPZUBP-FQEVSTJZSA-N |