N-[(1Z)-1-(furan-2-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]-4-methylbenzamide
Chemical Structure Depiction of
N-[(1Z)-1-(furan-2-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]-4-methylbenzamide
N-[(1Z)-1-(furan-2-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]-4-methylbenzamide
Compound characteristics
| Compound ID: | K617-0110 |
| Compound Name: | N-[(1Z)-1-(furan-2-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]-4-methylbenzamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C26 H25 N3 O4 |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1ccco1)\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5422 |
| logD: | 2.5336 |
| logSw: | -3.5575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.259 |
| InChI Key: | WPAFMQWKABBLJN-UHFFFAOYSA-N |