4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-[(3-ethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
Chemical Structure Depiction of
4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-[(3-ethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-[(3-ethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
Compound characteristics
| Compound ID: | M050-0561 |
| Compound Name: | 4-amino-N~3~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~5~-[(3-ethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | CCOc1cccc(CNC(c2c(c(C(NCc3ccc4c(c3)OCO4)=O)ns2)N)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8453 |
| logD: | 2.8453 |
| logSw: | -3.3788 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 103.952 |
| InChI Key: | OYYFUVRBMGZTSK-UHFFFAOYSA-N |