N-butyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-butyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-butyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | IB06-8298 |
| Compound Name: | N-butyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 308.44 |
| Molecular Formula: | C16 H24 N2 O2 S |
| Smiles: | CCCCNC(N1CCc2cc(c(cc2C1)OC)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 3.24 |
| logD: | 3.24 |
| logSw: | -3.91 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.98 |
| InChI Key: | CXIMWVRPCBMNLM-UHFFFAOYSA-N |