5-bromo-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]furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-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]furan-2-carboxamide
5-bromo-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]furan-2-carboxamide
Compound characteristics
| Compound ID: | K623-0152 |
| Compound Name: | 5-bromo-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]furan-2-carboxamide |
| Molecular Weight: | 605.53 |
| Molecular Formula: | C31 H33 Br N4 O4 |
| Smiles: | C1CCC(CCNC(c2ccc(c(c2)NC(c2ccc(o2)[Br])=O)N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)=CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3497 |
| logD: | 4.2384 |
| logSw: | -5.657 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.855 |
| InChI Key: | LABMVZUSVCGVIQ-UHFFFAOYSA-N |