ethyl N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-ethylphenyl)carbamothioyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-ethylphenyl)carbamothioyl]-beta-alaninate
ethyl N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-ethylphenyl)carbamothioyl]-beta-alaninate
Compound characteristics
| Compound ID: | K783-3016 |
| Compound Name: | ethyl N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-ethylphenyl)carbamothioyl]-beta-alaninate |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C23 H30 N2 O4 S |
| Smiles: | CCc1ccc(cc1)NC(N(CCC(=O)OCC)Cc1cc(ccc1OC)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.1277 |
| logD: | 5.1277 |
| logSw: | -5.0089 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.011 |
| InChI Key: | JTFNDIZWRNGMNS-UHFFFAOYSA-N |