N-{5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}thiophene-2-carboxamide
N-{5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}thiophene-2-carboxamide
Compound characteristics
Compound ID: | K623-0634 |
Compound Name: | N-{5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}thiophene-2-carboxamide |
Molecular Weight: | 609.75 |
Molecular Formula: | C34 H35 N5 O4 S |
Smiles: | COc1ccccc1N1CCN(CC1)C(c1ccc(c(c1)NC(c1cccs1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.7881 |
logD: | 4.783 |
logSw: | -4.5488 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.739 |
InChI Key: | BIBFIGPYNIULAP-UHFFFAOYSA-N |