rel-(6R,11aS,11bR)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one
Chemical Structure Depiction of
rel-(6R,11aS,11bR)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one
rel-(6R,11aS,11bR)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one
Compound characteristics
| Compound ID: | FF01-4587 |
| Compound Name: | rel-(6R,11aS,11bR)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one |
| Molecular Weight: | 217.27 |
| Molecular Formula: | C13 H15 N O2 |
| Smiles: | [H][C@@]12CCCCN2[C@H]2C[C@]13C(C=C2)=CC(=O)O3 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8654 |
| logD: | 1.7781 |
| logSw: | -2.0608 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.4323 |
| InChI Key: | SWZMSZQQJRKFBP-GMXVVIOVSA-N |