rel-(9aR,13aS)-1-(3-fluoro-4-methoxybenzoyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
Chemical Structure Depiction of
rel-(9aR,13aS)-1-(3-fluoro-4-methoxybenzoyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
rel-(9aR,13aS)-1-(3-fluoro-4-methoxybenzoyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
Compound characteristics
| Compound ID: | S797-0028 |
| Compound Name: | rel-(9aR,13aS)-1-(3-fluoro-4-methoxybenzoyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one |
| Molecular Weight: | 378.44 |
| Molecular Formula: | C20 H27 F N2 O4 |
| Smiles: | COc1ccc(cc1F)C(N1CCCOCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7718 |
| logD: | 1.7718 |
| logSw: | -2.377 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.047 |
| InChI Key: | DBADYSNAFBYYQH-WBVHZDCISA-N |