1-{5-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D153-0167 |
| Compound Name: | 1-{5-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 448.36 |
| Molecular Formula: | C20 H15 F3 N4 O5 |
| Smiles: | CC(c1cc2c(cc1Nc1c(C(C)=O)nn(c3ccc(cc3)OC(F)(F)F)n1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9221 |
| logD: | 3.9221 |
| logSw: | -4.0494 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.902 |
| InChI Key: | VBEVASGUBXCVOU-UHFFFAOYSA-N |