ethyl 4-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]benzoate
ethyl 4-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]benzoate
Compound characteristics
| Compound ID: | 3536-0417 |
| Compound Name: | ethyl 4-[(3,4-dihydroisoquinoline-2(1H)-carbothioyl)amino]benzoate |
| Molecular Weight: | 340.44 |
| Molecular Formula: | C19 H20 N2 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCc2ccccc2C1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6318 |
| logD: | 4.6318 |
| logSw: | -4.2023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.5523 |
| InChI Key: | KDXXILHYGZBBSL-UHFFFAOYSA-N |