N-{[6,7-dimethoxy-2-(propylcarbamothioyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclopentanecarboxamide
Chemical Structure Depiction of
N-{[6,7-dimethoxy-2-(propylcarbamothioyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclopentanecarboxamide
N-{[6,7-dimethoxy-2-(propylcarbamothioyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclopentanecarboxamide
Compound characteristics
| Compound ID: | V025-0856 |
| Compound Name: | N-{[6,7-dimethoxy-2-(propylcarbamothioyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclopentanecarboxamide |
| Molecular Weight: | 419.59 |
| Molecular Formula: | C22 H33 N3 O3 S |
| Smiles: | CCCNC(N1CCc2cc(c(cc2C1CNC(C1CCCC1)=O)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1568 |
| logD: | 3.1568 |
| logSw: | -3.2232 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.003 |
| InChI Key: | LJEAXKIBQHMMKC-SFHVURJKSA-N |