5-bromo-N-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}furan-2-carboxamide
5-bromo-N-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | K623-0592 |
| Compound Name: | 5-bromo-N-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}furan-2-carboxamide |
| Molecular Weight: | 631.48 |
| Molecular Formula: | C31 H27 Br N4 O6 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1ccc(o1)[Br])=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3524 |
| logD: | 2.6291 |
| logSw: | -4.5659 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.323 |
| InChI Key: | JHVKHBSHNJQPQO-UHFFFAOYSA-N |