N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzamide
Compound characteristics
| Compound ID: | K786-1240 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzamide |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C28 H28 N4 O4 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(Nc1ccc(cc1)C(NCC1COc2ccccc2O1)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7553 |
| logD: | 3.7553 |
| logSw: | -4.3409 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.928 |
| InChI Key: | SPPDXRMJEISHAZ-UHFFFAOYSA-N |