rel-(3R,3aR,5R,6aR,7S)-N-{3-[ethyl(3-methylphenyl)carbamoyl]phenyl}-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxamide
Chemical Structure Depiction of
rel-(3R,3aR,5R,6aR,7S)-N-{3-[ethyl(3-methylphenyl)carbamoyl]phenyl}-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxamide
rel-(3R,3aR,5R,6aR,7S)-N-{3-[ethyl(3-methylphenyl)carbamoyl]phenyl}-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxamide
Compound characteristics
| Compound ID: | D167-0161 |
| Compound Name: | rel-(3R,3aR,5R,6aR,7S)-N-{3-[ethyl(3-methylphenyl)carbamoyl]phenyl}-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxamide |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C25 H26 N2 O4 |
| Smiles: | CCN(C(c1cccc(c1)NC([C@H]1[C@@H]2C[C@@H]3[C@H]1C(=O)O[C@@H]3C2)=O)=O)c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7978 |
| logD: | 3.7977 |
| logSw: | -3.8897 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.117 |
| InChI Key: | OSWWUGHRQIZJBH-JDNQWYDXSA-N |