3-[(4-chlorobenzene-1-sulfonyl)amino]-N-[(4-methylphenyl)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-[(4-chlorobenzene-1-sulfonyl)amino]-N-[(4-methylphenyl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-[(4-chlorobenzene-1-sulfonyl)amino]-N-[(4-methylphenyl)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: | K781-3549 |
| Compound Name: | 3-[(4-chlorobenzene-1-sulfonyl)amino]-N-[(4-methylphenyl)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: | 603.14 |
| Molecular Formula: | C32 H31 Cl N4 O4 S |
| Smiles: | Cc1ccc(CNC(c2ccc(c(c2)NS(c2ccc(cc2)[Cl])(=O)=O)N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6623 |
| logD: | 3.1521 |
| logSw: | -5.9835 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.454 |
| InChI Key: | IVUGAOMLQZEZIS-UHFFFAOYSA-N |