3-[(3-chlorobenzene-1-sulfonyl)amino]-N-(3-ethoxypropyl)-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-[(3-chlorobenzene-1-sulfonyl)amino]-N-(3-ethoxypropyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-[(3-chlorobenzene-1-sulfonyl)amino]-N-(3-ethoxypropyl)-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: | K784-9514 |
| Compound Name: | 3-[(3-chlorobenzene-1-sulfonyl)amino]-N-(3-ethoxypropyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 585.12 |
| Molecular Formula: | C29 H33 Cl N4 O5 S |
| Smiles: | CCOCCCNC(c1ccc(c(c1)NS(c1cccc(c1)[Cl])(=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1385 |
| logD: | 2.0462 |
| logSw: | -4.4483 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.544 |
| InChI Key: | ILMSRAQXKFEGQR-UHFFFAOYSA-N |