N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1168 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | C1CCC(C1)N1C(C(C(NCc2ccc3c(c2)OCO3)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0469 |
| logD: | 4.0469 |
| logSw: | -4.1856 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.786 |
| InChI Key: | ACNOTVYVXDOIHC-UHFFFAOYSA-N |