3-(2-chlorobenzamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
3-(2-chlorobenzamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-(2-chlorobenzamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K781-1417 |
| Compound Name: | 3-(2-chlorobenzamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 597.07 |
| Molecular Formula: | C33 H29 Cl N4 O5 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1ccccc1[Cl])=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6702 |
| logD: | 3.3815 |
| logSw: | -4.8858 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.397 |
| InChI Key: | JXJOEYYYLFJYEA-UHFFFAOYSA-N |