2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1234 |
| Compound Name: | 2-cyclopentyl-N-[(3-methoxyphenyl)methyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C27 H28 N2 O3 S |
| Smiles: | COc1cccc(CNC(C2C(c3cccs3)N(C3CCCC3)C(c3ccccc23)=O)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2311 |
| logD: | 4.2311 |
| logSw: | -4.3856 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.214 |
| InChI Key: | QUTQFXYCIYPKAH-UHFFFAOYSA-N |