2-oxo-N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
2-oxo-N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}-2H-1-benzopyran-3-carboxamide
2-oxo-N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K781-0994 |
| Compound Name: | 2-oxo-N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 662.7 |
| Molecular Formula: | C37 H34 N4 O8 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(c1ccc(c(c1)NC(C1=Cc2ccccc2OC1=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4799 |
| logD: | 2.8359 |
| logSw: | -4.4793 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.473 |
| InChI Key: | PLWCHQAVJMTJIE-UHFFFAOYSA-N |