4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
Chemical Structure Depiction of
4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
Compound characteristics
| Compound ID: | M050-0541 |
| Compound Name: | 4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide |
| Molecular Weight: | 470.5 |
| Molecular Formula: | C22 H22 N4 O6 S |
| Smiles: | COc1ccc(CNC(c2c(c(C(NCc3ccc4c(c3)OCO4)=O)ns2)N)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5801 |
| logD: | 2.5801 |
| logSw: | -3.0459 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 112.003 |
| InChI Key: | JTJOHSHKCDVBPE-UHFFFAOYSA-N |