1-[(ethylcarbamamido)methyl]-6,7-dimethoxy-N-(prop-2-en-1-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
1-[(ethylcarbamamido)methyl]-6,7-dimethoxy-N-(prop-2-en-1-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
1-[(ethylcarbamamido)methyl]-6,7-dimethoxy-N-(prop-2-en-1-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | V017-9834 |
| Compound Name: | 1-[(ethylcarbamamido)methyl]-6,7-dimethoxy-N-(prop-2-en-1-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C19 H28 N4 O3 S |
| Smiles: | CCNC(NCC1c2cc(c(cc2CCN1C(NCC=C)=S)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5299 |
| logD: | 1.5299 |
| logSw: | -2.1866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.876 |
| InChI Key: | HJFJUKFEBMOSTH-HNNXBMFYSA-N |