4-amino-N~3~,N~5~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-1,2-thiazole-3,5-dicarboxamide
Chemical Structure Depiction of
4-amino-N~3~,N~5~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-1,2-thiazole-3,5-dicarboxamide
4-amino-N~3~,N~5~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-1,2-thiazole-3,5-dicarboxamide
Compound characteristics
Compound ID: | M050-0476 |
Compound Name: | 4-amino-N~3~,N~5~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-1,2-thiazole-3,5-dicarboxamide |
Molecular Weight: | 454.46 |
Molecular Formula: | C21 H18 N4 O6 S |
Smiles: | C(c1ccc2c(c1)OCO2)NC(c1c(c(C(NCc2ccc3c(c2)OCO3)=O)sn1)N)=O |
Stereo: | ACHIRAL |
logP: | 2.2736 |
logD: | 2.2736 |
logSw: | -2.9337 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 113.944 |
InChI Key: | APMVMWAZDMOBFN-UHFFFAOYSA-N |