2-bromo-6-methoxy-4-[(1Z)-2-(4-methoxybenzamido)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-1-yl]phenyl acetate
Chemical Structure Depiction of
2-bromo-6-methoxy-4-[(1Z)-2-(4-methoxybenzamido)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-1-yl]phenyl acetate
2-bromo-6-methoxy-4-[(1Z)-2-(4-methoxybenzamido)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-1-yl]phenyl acetate
Compound characteristics
| Compound ID: | K617-0173 |
| Compound Name: | 2-bromo-6-methoxy-4-[(1Z)-2-(4-methoxybenzamido)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-1-yl]phenyl acetate |
| Molecular Weight: | 636.5 |
| Molecular Formula: | C31 H30 Br N3 O7 |
| Smiles: | CC(=O)Oc1c(cc(/C=C(/C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)NC(c2ccc(cc2)OC)=O)cc1[Br])OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9984 |
| logD: | 1.8743 |
| logSw: | -4.3909 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.609 |
| InChI Key: | JGAZOQLWJDKHNS-UHFFFAOYSA-N |