ethyl 2-({4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | E632-0322 |
| Compound Name: | ethyl 2-({4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 481.66 |
| Molecular Formula: | C27 H35 N3 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(N1CCC(CC1)CN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3885 |
| logD: | 5.3885 |
| logSw: | -5.384 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.571 |
| InChI Key: | CAGLVZAAMBLBAS-UHFFFAOYSA-N |