N-[5-(azepane-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-N'-(3,5-dimethylphenyl)thiourea
Chemical Structure Depiction of
N-[5-(azepane-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-N'-(3,5-dimethylphenyl)thiourea
N-[5-(azepane-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-N'-(3,5-dimethylphenyl)thiourea
Compound characteristics
Compound ID: | K784-9527 |
Compound Name: | N-[5-(azepane-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-N'-(3,5-dimethylphenyl)thiourea |
Molecular Weight: | 569.77 |
Molecular Formula: | C33 H39 N5 O2 S |
Smiles: | Cc1cc(C)cc(c1)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCCCCC1)=O)=S |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 6.2505 |
logD: | 6.2504 |
logSw: | -5.2942 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 54.193 |
InChI Key: | ZXOYOPOFOOSKSU-UHFFFAOYSA-N |