N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V024-0952 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | Cc1ccc(c(c1)OC)OCc1nc(cs1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7795 |
| logD: | 3.7795 |
| logSw: | -3.9615 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.213 |
| InChI Key: | BBUKSTRSBIODGV-UHFFFAOYSA-N |