N-[5-(3,5-dimethylpiperidine-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-(3,5-dimethylpiperidine-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-(3,5-dimethylpiperidine-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: | K623-0568 |
| Compound Name: | N-[5-(3,5-dimethylpiperidine-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: | 530.69 |
| Molecular Formula: | C30 H34 N4 O3 S |
| Smiles: | CC1CC(C)CN(C1)C(c1ccc(c(c1)NC(c1cccs1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.033 |
| logD: | 5.0279 |
| logSw: | -4.6756 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.016 |
| InChI Key: | HRVISMIZJSQRQF-UHFFFAOYSA-N |