rel-(9aR,13aS)-1-(furan-3-carbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-1-(furan-3-carbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
rel-(9aR,13aS)-1-(furan-3-carbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Compound characteristics
| Compound ID: | S775-0005 |
| Compound Name: | rel-(9aR,13aS)-1-(furan-3-carbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one |
| Molecular Weight: | 318.41 |
| Molecular Formula: | C18 H26 N2 O3 |
| Smiles: | C1CCCN(C(c2ccoc2)=O)[C@H]2CCCC[C@H]2C(NCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.265 |
| logD: | 2.265 |
| logSw: | -2.7242 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.311 |
| InChI Key: | PAAHRNUIDDQZCC-CVEARBPZSA-N |