N-butyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-butyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-butyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | IB04-4654 |
| Compound Name: | N-butyl-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 322.47 |
| Molecular Formula: | C17 H26 N2 O2 S |
| Smiles: | CCCCNC(N1CCc2cc(c(cc2C1C)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.19 |
| logD: | 3.19 |
| logSw: | -3.87 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.01 |
| InChI Key: | JFBLNRREMKRUHA-LBPRGKRZSA-N |