ethyl 4-({[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]carbamothioyl}amino)benzoate
ethyl 4-({[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | C270-0037 |
| Compound Name: | ethyl 4-({[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NCCN1CCc2ccccc2C1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0653 |
| logD: | 2.3018 |
| logSw: | -3.9543 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.623 |
| InChI Key: | GLLSSHOXFBJEBA-UHFFFAOYSA-N |