ethyl N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)carbamothioyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)carbamothioyl]-beta-alaninate
ethyl N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)carbamothioyl]-beta-alaninate
Compound characteristics
| Compound ID: | K783-3015 |
| Compound Name: | ethyl N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)carbamothioyl]-beta-alaninate |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Smiles: | CCOC(CCN(Cc1cc(ccc1OC)OC)C(Nc1ccc(C)cc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6204 |
| logD: | 4.6204 |
| logSw: | -4.325 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.011 |
| InChI Key: | RZJCPAMTAXGTPV-UHFFFAOYSA-N |