2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl diethylcarbamodithioate
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl diethylcarbamodithioate
2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl diethylcarbamodithioate
Compound characteristics
| Compound ID: | 4151-0491 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl diethylcarbamodithioate |
| Molecular Weight: | 322.49 |
| Molecular Formula: | C16 H22 N2 O S2 |
| Smiles: | CCN(CC)C(=S)SCC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3627 |
| logD: | 3.3627 |
| logSw: | -3.3352 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 18.3967 |
| InChI Key: | TVJBBZVNSRFHBE-UHFFFAOYSA-N |