2-cyclopentyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-cyclopentyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-cyclopentyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1215 |
| Compound Name: | 2-cyclopentyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 502.63 |
| Molecular Formula: | C29 H30 N2 O4 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(C1C(c2cccs2)N(C2CCCC2)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9611 |
| logD: | 3.9611 |
| logSw: | -3.9856 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.657 |
| InChI Key: | AEXZLASLVDLUQA-UHFFFAOYSA-N |