ethyl 4-{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)benzoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{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)benzoyl}piperazine-1-carboxylate
ethyl 4-{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)benzoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K781-1747 |
| Compound Name: | ethyl 4-{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)benzoyl}piperazine-1-carboxylate |
| Molecular Weight: | 637.69 |
| Molecular Formula: | C35 H35 N5 O7 |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(c(c1)NC(C1=Cc2ccccc2OC1=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6341 |
| logD: | 3.1737 |
| logSw: | -3.9359 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.832 |
| InChI Key: | GHYKMTOBQMMYJB-UHFFFAOYSA-N |