rel-(1R,5R)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Chemical Structure Depiction of
rel-(1R,5R)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
rel-(1R,5R)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Compound characteristics
| Compound ID: | Y043-7172 |
| Compound Name: | rel-(1R,5R)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C21 H23 N3 O4 |
| Smiles: | C1[C@@H]2CN(C[C@H]1C1=CC=CC(N1C2)=O)C(NCC1COc2ccccc2O1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4503 |
| logD: | 2.4503 |
| logSw: | -2.7183 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.408 |
| InChI Key: | CVPOGYZHPJZBMM-KSCSMHSMSA-N |