4-amino-N~5~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-benzyl-1,2-thiazole-3,5-dicarboxamide
Chemical Structure Depiction of
4-amino-N~5~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-benzyl-1,2-thiazole-3,5-dicarboxamide
4-amino-N~5~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-benzyl-1,2-thiazole-3,5-dicarboxamide
Compound characteristics
| Compound ID: | M050-0170 |
| Compound Name: | 4-amino-N~5~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-benzyl-1,2-thiazole-3,5-dicarboxamide |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C20 H18 N4 O4 S |
| Smiles: | C(c1ccccc1)NC(c1c(c(C(NCc2ccc3c(c2)OCO3)=O)sn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3605 |
| logD: | 2.3605 |
| logSw: | -2.9412 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 96.829 |
| InChI Key: | XVWQPZKFAWWZOH-UHFFFAOYSA-N |