rel-(9aR,12aS)-9-oxo-N-(2-phenylethyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-9-oxo-N-(2-phenylethyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-carboxamide
rel-(9aR,12aS)-9-oxo-N-(2-phenylethyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-carboxamide
Compound characteristics
| Compound ID: | S795-0221 |
| Compound Name: | rel-(9aR,12aS)-9-oxo-N-(2-phenylethyl)decahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-carboxamide |
| Molecular Weight: | 359.47 |
| Molecular Formula: | C20 H29 N3 O3 |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCOCCCN2C(NCCc1ccccc1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.5424 |
| logD: | 1.5424 |
| logSw: | -2.1553 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.767 |
| InChI Key: | XEJUJIZPRDMMNZ-MSOLQXFVSA-N |