N-(2H-1,3-benzodioxol-5-yl)-2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | D376-0032 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | Cc1ccc(C)c(c1)OCc1nc(C)c(C(Nc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8966 |
| logD: | 4.8948 |
| logSw: | -4.6744 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.837 |
| InChI Key: | CGTSMAHEDNCTKI-UHFFFAOYSA-N |