N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}thiophene-2-carboxamide
N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | K623-0414 |
| Compound Name: | N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}thiophene-2-carboxamide |
| Molecular Weight: | 600.69 |
| Molecular Formula: | C32 H32 N4 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(c1ccc(c(c1)NC(c1cccs1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5356 |
| logD: | 4.4325 |
| logSw: | -4.3797 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.57 |
| InChI Key: | LWQMUFUDFCGLDF-UHFFFAOYSA-N |