(5S)-N-[(2H-1,3-benzodioxol-5-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
(5S)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
(5S)-N-[(2H-1,3-benzodioxol-5-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: | Y043-6334 |
| Compound Name: | (5S)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide |
| Molecular Weight: | 367.4 |
| Molecular Formula: | C20 H21 N3 O4 |
| Smiles: | C1[C@@H]2CN(C[C@H]1C1=CC=CC(N1C2)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3058 |
| logD: | 2.3058 |
| logSw: | -2.9018 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.844 |
| InChI Key: | XEYFIGYYUAYULP-GJZGRUSLSA-N |