4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-[4-(benzyloxy)phenyl]-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-[4-(benzyloxy)phenyl]-1H-1,2,3-triazol-5-amine
4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-[4-(benzyloxy)phenyl]-1H-1,2,3-triazol-5-amine
Compound characteristics
| Compound ID: | F988-0723 |
| Compound Name: | 4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-[4-(benzyloxy)phenyl]-1H-1,2,3-triazol-5-amine |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C25 H19 N5 O3 S |
| Smiles: | C(c1ccccc1)Oc1ccc(cc1)n1c(c(c2nc(cs2)c2ccc3c(c2)OCO3)nn1)N |
| Stereo: | ACHIRAL |
| logP: | 5.2352 |
| logD: | 5.2352 |
| logSw: | -5.679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.138 |
| InChI Key: | NRTAUTYAGQBTRQ-UHFFFAOYSA-N |