2-cyclopentyl-1-oxo-N-[(pyridin-3-yl)methyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-cyclopentyl-1-oxo-N-[(pyridin-3-yl)methyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-cyclopentyl-1-oxo-N-[(pyridin-3-yl)methyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1084 |
| Compound Name: | 2-cyclopentyl-1-oxo-N-[(pyridin-3-yl)methyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C25 H25 N3 O2 S |
| Smiles: | C1CCC(C1)N1C(C(C(NCc2cccnc2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9061 |
| logD: | 2.9036 |
| logSw: | -3.282 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.188 |
| InChI Key: | UPYLIZRZKVFRSF-UHFFFAOYSA-N |