N-{[2-(ethylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclopentanecarboxamide
Chemical Structure Depiction of
N-{[2-(ethylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclopentanecarboxamide
N-{[2-(ethylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclopentanecarboxamide
Compound characteristics
| Compound ID: | V025-9577 |
| Compound Name: | N-{[2-(ethylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclopentanecarboxamide |
| Molecular Weight: | 405.56 |
| Molecular Formula: | C21 H31 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCNC(N1CCc2cc(c(cc2C1CNC(C1CCCC1)=O)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6561 |
| logD: | 2.6561 |
| logSw: | -2.9993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.787 |
| InChI Key: | ITCWQVAXWLWBPK-KRWDZBQOSA-N |