3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-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-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-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: | K784-8501 |
| Compound Name: | 3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 688.8 |
| Molecular Formula: | C36 H40 N4 O8 S |
| Smiles: | COc1ccc(c(c1)S(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCCc1ccc(c(c1)OC)OC)=O)(=O)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9212 |
| logD: | 2.3239 |
| logSw: | -4.2604 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.73 |
| InChI Key: | WMPHFRADKARUOZ-UHFFFAOYSA-N |