rel-(9aR,13aS)-1-(3-fluoro-4-methoxybenzoyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-1-(3-fluoro-4-methoxybenzoyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
rel-(9aR,13aS)-1-(3-fluoro-4-methoxybenzoyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Compound characteristics
| Compound ID: | S775-0028 |
| Compound Name: | rel-(9aR,13aS)-1-(3-fluoro-4-methoxybenzoyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one |
| Molecular Weight: | 376.47 |
| Molecular Formula: | C21 H29 F N2 O3 |
| Smiles: | COc1ccc(cc1F)C(N1CCCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9574 |
| logD: | 2.9574 |
| logSw: | -3.1609 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.139 |
| InChI Key: | NNFZVFKUTYNBOK-AEFFLSMTSA-N |