N-[(1Z)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-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-2-yl]benzamide
Chemical Structure Depiction of
N-[(1Z)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-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-2-yl]benzamide
N-[(1Z)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-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-2-yl]benzamide
Compound characteristics
| Compound ID: | 3076-0478 |
| Compound Name: | N-[(1Z)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-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-2-yl]benzamide |
| Molecular Weight: | 513.55 |
| Molecular Formula: | C29 H27 N3 O6 |
| Smiles: | COc1cc(/C=C(/C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)NC(c2ccccc2)=O)cc2c1OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6623 |
| logD: | 2.4532 |
| logSw: | -4.0413 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.94 |
| InChI Key: | IXUGOONUQLYOHS-UHFFFAOYSA-N |