methyl 4,5-dimethoxy-2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)amino]benzoate
methyl 4,5-dimethoxy-2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | Y042-8044 |
| Compound Name: | methyl 4,5-dimethoxy-2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl)amino]benzoate |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C22 H25 N3 O6 |
| Smiles: | COC(c1cc(c(cc1NC(N1C[C@H]2C[C@@H](C1)C1=CC=CC(N1C2)=O)=O)OC)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5614 |
| logD: | 2.5412 |
| logSw: | -2.9069 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.143 |
| InChI Key: | RRPXAYGWAXSAKT-KBPBESRZSA-N |