3-[(1Z)-2-(2-methylbenzamido)-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
3-[(1Z)-2-(2-methylbenzamido)-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
3-[(1Z)-2-(2-methylbenzamido)-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: | K617-0205 |
| Compound Name: | 3-[(1Z)-2-(2-methylbenzamido)-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: | 511.58 |
| Molecular Formula: | C30 H29 N3 O5 |
| Smiles: | CC(=O)Oc1cccc(/C=C(/C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)NC(c2ccccc2C)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4567 |
| logD: | 1.4288 |
| logSw: | -3.9147 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.261 |
| InChI Key: | NQRVVEHXSUSJJN-UHFFFAOYSA-N |