ethyl 2-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 2-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]benzoate
ethyl 2-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]benzoate
Compound characteristics
Compound ID: | C200-1992 |
Compound Name: | ethyl 2-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]benzoate |
Molecular Weight: | 340.44 |
Molecular Formula: | C19 H20 N2 O2 S |
Smiles: | CCOC(c1ccccc1NC(N1CCc2ccccc2C1)=S)=O |
Stereo: | ACHIRAL |
logP: | 4.6423 |
logD: | 4.6421 |
logSw: | -4.2782 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 30.8545 |
InChI Key: | DOJPEIQJVYKETJ-UHFFFAOYSA-N |