4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(3,5-dimethoxyphenyl)-1H-1,2,3-triazol-5-amine
Chemical Structure Depiction of
4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(3,5-dimethoxyphenyl)-1H-1,2,3-triazol-5-amine
4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(3,5-dimethoxyphenyl)-1H-1,2,3-triazol-5-amine
Compound characteristics
| Compound ID: | F988-0731 |
| Compound Name: | 4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(3,5-dimethoxyphenyl)-1H-1,2,3-triazol-5-amine |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C20 H17 N5 O4 S |
| Smiles: | COc1cc(cc(c1)OC)n1c(c(c2nc(cs2)c2ccc3c(c2)OCO3)nn1)N |
| Stereo: | ACHIRAL |
| logP: | 4.1733 |
| logD: | 4.1733 |
| logSw: | -4.5363 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.998 |
| InChI Key: | ZJCBKMFQBLSTQY-UHFFFAOYSA-N |