methyl 2-{3-[(2-oxo-2H-1-benzopyran-3-carbonyl)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-[(2-oxo-2H-1-benzopyran-3-carbonyl)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-[(2-oxo-2H-1-benzopyran-3-carbonyl)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: | K781-1716 |
| Compound Name: | methyl 2-{3-[(2-oxo-2H-1-benzopyran-3-carbonyl)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: | 630.66 |
| Molecular Formula: | C36 H30 N4 O7 |
| Smiles: | COC(c1ccccc1NC(c1ccc(c(c1)NC(C1=Cc2ccccc2OC1=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0222 |
| logD: | 3.3781 |
| logSw: | -4.6529 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.971 |
| InChI Key: | HKGJGKBIWBIDRT-UHFFFAOYSA-N |