methyl 2-[3-amino-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzoate
Chemical Structure Depiction of
methyl 2-[3-amino-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzoate
methyl 2-[3-amino-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzoate
Compound characteristics
| Compound ID: | K781-1806 |
| Compound Name: | methyl 2-[3-amino-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzoate |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C26 H26 N4 O4 |
| Smiles: | COC(c1ccccc1NC(c1ccc(c(c1)N)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4924 |
| logD: | 3.0734 |
| logSw: | -3.8719 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.752 |
| InChI Key: | XTVKUEGPFNNGFI-UHFFFAOYSA-N |