N,N-diethyl-1-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(thiophene-2-carbonyl)amino]benzoyl}piperidine-3-carboxamide
Chemical Structure Depiction of
N,N-diethyl-1-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(thiophene-2-carbonyl)amino]benzoyl}piperidine-3-carboxamide
N,N-diethyl-1-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(thiophene-2-carbonyl)amino]benzoyl}piperidine-3-carboxamide
Compound characteristics
| Compound ID: | K623-0194 |
| Compound Name: | N,N-diethyl-1-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(thiophene-2-carbonyl)amino]benzoyl}piperidine-3-carboxamide |
| Molecular Weight: | 601.77 |
| Molecular Formula: | C33 H39 N5 O4 S |
| Smiles: | CCN(CC)C(C1CCCN(C1)C(c1ccc(c(c1)NC(c1cccs1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9459 |
| logD: | 3.9408 |
| logSw: | -4.1004 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.014 |
| InChI Key: | OFVMCSXOSWUGQF-UHFFFAOYSA-N |