N-[5-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[5-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-[5-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K781-0434 |
| Compound Name: | N-[5-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 604.71 |
| Molecular Formula: | C36 H36 N4 O5 |
| Smiles: | C1CCC(CCNC(c2ccc(c(c2)NC(C2=Cc3ccccc3OC2=O)=O)N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)=CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0693 |
| logD: | 4.032 |
| logSw: | -5.036 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.851 |
| InChI Key: | LCRFGCUTDCAHRG-UHFFFAOYSA-N |