1-[(ethylcarbamamido)methyl]-6,7-dimethoxy-N-propyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
1-[(ethylcarbamamido)methyl]-6,7-dimethoxy-N-propyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
1-[(ethylcarbamamido)methyl]-6,7-dimethoxy-N-propyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | V002-1035 |
| Compound Name: | 1-[(ethylcarbamamido)methyl]-6,7-dimethoxy-N-propyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C19 H30 N4 O3 S |
| Smiles: | CCCNC(N1CCc2cc(c(cc2C1CNC(NCC)=O)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.887 |
| logD: | 1.887 |
| logSw: | -2.5119 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.876 |
| InChI Key: | VFZOKZCWJAASLU-HNNXBMFYSA-N |