N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | D333-0250 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | Cc1cccc(c1)OCc1nc(C)c(C(NCc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3425 |
| logD: | 4.3425 |
| logSw: | -4.3949 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.072 |
| InChI Key: | CDTRHCRUILRDGG-UHFFFAOYSA-N |