N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[phenyl(prop-2-en-1-yl)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-[phenyl(prop-2-en-1-yl)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-[phenyl(prop-2-en-1-yl)carbamoyl]phenyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | K623-0216 |
| 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-[phenyl(prop-2-en-1-yl)carbamoyl]phenyl}thiophene-2-carboxamide |
| Molecular Weight: | 550.68 |
| Molecular Formula: | C32 H30 N4 O3 S |
| Smiles: | C=CCN(C(c1ccc(c(c1)NC(c1cccs1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5186 |
| logD: | 5.4969 |
| logSw: | -5.8539 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.102 |
| InChI Key: | QGHBTGFPYUDIOD-UHFFFAOYSA-N |