1-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D153-0151 |
| Compound Name: | 1-{5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 420.35 |
| Molecular Formula: | C19 H15 F3 N4 O4 |
| Smiles: | CC(c1c(Nc2ccc3c(c2)OCCO3)nn(c2ccc(cc2)OC(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.152 |
| logD: | 3.152 |
| logSw: | -3.4066 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.48 |
| InChI Key: | UKKNQIJZIQJQKW-UHFFFAOYSA-N |