N-[5-{[(4-methoxyphenyl)methyl]carbamoyl}-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-{[(4-methoxyphenyl)methyl]carbamoyl}-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-{[(4-methoxyphenyl)methyl]carbamoyl}-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: | K623-0348 |
| Compound Name: | N-[5-{[(4-methoxyphenyl)methyl]carbamoyl}-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: | 554.67 |
| Molecular Formula: | C31 H30 N4 O4 S |
| Smiles: | COc1ccc(CNC(c2ccc(c(c2)NC(c2cccs2)=O)N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8034 |
| logD: | 4.7774 |
| logSw: | -4.5881 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.458 |
| InChI Key: | JUWUQQQMPZJAQZ-UHFFFAOYSA-N |