N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,3-thiazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | L102-0097 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | Cc1ccc(cc1)n1c(C)c(c2nc(C)c(C(NCc3ccc4c(c3)OCO4)=O)s2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.129 |
| logD: | 4.129 |
| logSw: | -4.2284 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.921 |
| InChI Key: | OAJWIWPPOFSQEC-UHFFFAOYSA-N |