2-cyclopentyl-N-[3-(morpholin-4-yl)propyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-cyclopentyl-N-[3-(morpholin-4-yl)propyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-cyclopentyl-N-[3-(morpholin-4-yl)propyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1063 |
| Compound Name: | 2-cyclopentyl-N-[3-(morpholin-4-yl)propyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 467.63 |
| Molecular Formula: | C26 H33 N3 O3 S |
| Smiles: | C1CCC(C1)N1C(C(C(NCCCN2CCOCC2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5693 |
| logD: | 2.1458 |
| logSw: | -3.0415 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.403 |
| InChI Key: | PIQAOFONNJIRJD-UHFFFAOYSA-N |