N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Compound characteristics
| Compound ID: | T408-0701 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide |
| Molecular Weight: | 437.6 |
| Molecular Formula: | C25 H31 N3 O2 S |
| Smiles: | C1CCN(C1)C(c1cc2CC(CCc2s1)C(NCCN1CCc2ccccc2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7826 |
| logD: | 3.2901 |
| logSw: | -3.8891 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.091 |
| InChI Key: | WDJADKWZDLIGNV-LJQANCHMSA-N |