4-chloro-N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzene-1-sulfonamide
4-chloro-N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K784-5791 |
| Compound Name: | 4-chloro-N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzene-1-sulfonamide |
| Molecular Weight: | 625.14 |
| Molecular Formula: | C31 H33 Cl N4 O6 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NS(c1ccc(cc1)[Cl])(=O)=O)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6325 |
| logD: | 1.8365 |
| logSw: | -4.2978 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.126 |
| InChI Key: | KIXXKDJIIKHCIQ-UHFFFAOYSA-N |