3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide
Chemical Structure Depiction of
3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide
3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | K784-8503 |
| Compound Name: | 3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide |
| Molecular Weight: | 668.69 |
| Molecular Formula: | C33 H31 F3 N4 O6 S |
| Smiles: | COc1ccc(c(c1)S(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCc1c(cc(cc1F)F)F)=O)(=O)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1491 |
| logD: | 3.5519 |
| logSw: | -5.1094 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.628 |
| InChI Key: | ILKOVGXCILCEBO-UHFFFAOYSA-N |