4-[(1Z)-2-[(cyclohexanecarbonyl)amino]-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]-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-[(1Z)-2-[(cyclohexanecarbonyl)amino]-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]-2-methoxyphenyl acetate
4-[(1Z)-2-[(cyclohexanecarbonyl)amino]-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]-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | K617-0161 |
| Compound Name: | 4-[(1Z)-2-[(cyclohexanecarbonyl)amino]-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]-2-methoxyphenyl acetate |
| Molecular Weight: | 533.62 |
| Molecular Formula: | C30 H35 N3 O6 |
| Smiles: | CC(=O)Oc1ccc(/C=C(/C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)NC(C2CCCCC2)=O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6759 |
| logD: | 2.9625 |
| logSw: | -4.1005 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.17 |
| InChI Key: | HUINUEJLAVVRHE-UHFFFAOYSA-N |