N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(5-methyl-1-phenyl-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-phenyl-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-phenyl-1H-1,2,3-triazol-4-yl)-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | L102-0022 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 433.49 |
| Molecular Formula: | C22 H19 N5 O3 S |
| Smiles: | Cc1c(C(NCc2ccc3c(c2)OCO3)=O)sc(c2c(C)n(c3ccccc3)nn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.584 |
| logD: | 3.584 |
| logSw: | -3.8608 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.921 |
| InChI Key: | HJHKRSYXJUGLIV-UHFFFAOYSA-N |