rel-(9aR,12aS)-N-benzyl-9-oxodecahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-N-benzyl-9-oxodecahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-carboxamide
rel-(9aR,12aS)-N-benzyl-9-oxodecahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-carboxamide
Compound characteristics
| Compound ID: | S795-0211 |
| Compound Name: | rel-(9aR,12aS)-N-benzyl-9-oxodecahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-carboxamide |
| Molecular Weight: | 345.44 |
| Molecular Formula: | C19 H27 N3 O3 |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCOCCCN2C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1258 |
| logD: | 1.1258 |
| logSw: | -1.9813 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.925 |
| InChI Key: | PMCVURXXLLKZDU-SJORKVTESA-N |