3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-N-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-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: | K784-8499 |
| Compound Name: | 3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-N-[(4-fluorophenyl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 632.71 |
| Molecular Formula: | C33 H33 F N4 O6 S |
| Smiles: | COc1ccc(c(c1)S(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCc1ccc(cc1)F)=O)(=O)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4996 |
| logD: | 2.9024 |
| logSw: | -4.4023 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.628 |
| InChI Key: | ZBZOBTIBNWTILT-UHFFFAOYSA-N |