N-{5-[(4-ethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}pyridine-4-carboxamide
Chemical Structure Depiction of
N-{5-[(4-ethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}pyridine-4-carboxamide
N-{5-[(4-ethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}pyridine-4-carboxamide
Compound characteristics
| Compound ID: | K623-0384 |
| Compound Name: | N-{5-[(4-ethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}pyridine-4-carboxamide |
| Molecular Weight: | 549.63 |
| Molecular Formula: | C32 H31 N5 O4 |
| Smiles: | CCOc1ccc(cc1)NC(c1ccc(c(c1)NC(c1ccncc1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3624 |
| logD: | 3.2721 |
| logSw: | -4.1468 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.125 |
| InChI Key: | DCBUXLLABYPISO-UHFFFAOYSA-N |