3-(4-tert-butylbenzamido)-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-(4-tert-butylbenzamido)-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-(4-tert-butylbenzamido)-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: | K781-1413 |
| Compound Name: | 3-(4-tert-butylbenzamido)-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: | 618.73 |
| Molecular Formula: | C37 H38 N4 O5 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0095 |
| logD: | 5.4448 |
| logSw: | -5.4798 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.397 |
| InChI Key: | NYKBBISRSJCVLR-UHFFFAOYSA-N |