N-(4-{[5-(2-ethylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]sulfamoyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{[5-(2-ethylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]sulfamoyl}phenyl)acetamide
N-(4-{[5-(2-ethylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]sulfamoyl}phenyl)acetamide
Compound characteristics
| Compound ID: | K622-0225 |
| Compound Name: | N-(4-{[5-(2-ethylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]sulfamoyl}phenyl)acetamide |
| Molecular Weight: | 617.77 |
| Molecular Formula: | C33 H39 N5 O5 S |
| Smiles: | CCC1CCCCN1C(c1ccc(c(c1)NS(c1ccc(cc1)NC(C)=O)(=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0877 |
| logD: | 3.4692 |
| logSw: | -4.1754 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.597 |
| InChI Key: | FIHMNKOXSMTDGW-UHFFFAOYSA-N |