1-{5-[4-(1,3-dihydro-2H-isoindol-2-yl)anilino]-2-(4-fluorophenyl)-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[4-(1,3-dihydro-2H-isoindol-2-yl)anilino]-2-(4-fluorophenyl)-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-[4-(1,3-dihydro-2H-isoindol-2-yl)anilino]-2-(4-fluorophenyl)-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D153-0073 |
| Compound Name: | 1-{5-[4-(1,3-dihydro-2H-isoindol-2-yl)anilino]-2-(4-fluorophenyl)-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C24 H20 F N5 O |
| Smiles: | CC(c1c(Nc2ccc(cc2)N2Cc3ccccc3C2)nn(c2ccc(cc2)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5937 |
| logD: | 4.5937 |
| logSw: | -4.2941 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.134 |
| InChI Key: | JTGSDTUCGTTYKJ-UHFFFAOYSA-N |