rel-(8aR,12aS)-8-oxo-N-(2-phenylethyl)dodecahydro-1H-4,1,7-benzoxadiazecine-1-carboxamide
Chemical Structure Depiction of
rel-(8aR,12aS)-8-oxo-N-(2-phenylethyl)dodecahydro-1H-4,1,7-benzoxadiazecine-1-carboxamide
rel-(8aR,12aS)-8-oxo-N-(2-phenylethyl)dodecahydro-1H-4,1,7-benzoxadiazecine-1-carboxamide
Compound characteristics
| Compound ID: | S767-0221 |
| Compound Name: | rel-(8aR,12aS)-8-oxo-N-(2-phenylethyl)dodecahydro-1H-4,1,7-benzoxadiazecine-1-carboxamide |
| Molecular Weight: | 359.47 |
| Molecular Formula: | C20 H29 N3 O3 |
| Smiles: | C1CC[C@@H]2[C@H](C1)C(NCCOCCN2C(NCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.982 |
| logD: | 1.982 |
| logSw: | -2.5402 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.401 |
| InChI Key: | OVAHMNMHNITHET-MSOLQXFVSA-N |