1-[(4-fluorophenyl)methyl]-4-{[(4-fluorophenyl)methyl]carbamoyl}-3-(2-oxopropyl)-1H-1,2,3-triazol-3-ium-5-olate
Chemical Structure Depiction of
1-[(4-fluorophenyl)methyl]-4-{[(4-fluorophenyl)methyl]carbamoyl}-3-(2-oxopropyl)-1H-1,2,3-triazol-3-ium-5-olate
1-[(4-fluorophenyl)methyl]-4-{[(4-fluorophenyl)methyl]carbamoyl}-3-(2-oxopropyl)-1H-1,2,3-triazol-3-ium-5-olate
Compound characteristics
| Compound ID: | Y010-2036 |
| Compound Name: | 1-[(4-fluorophenyl)methyl]-4-{[(4-fluorophenyl)methyl]carbamoyl}-3-(2-oxopropyl)-1H-1,2,3-triazol-3-ium-5-olate |
| Molecular Weight: | 400.38 |
| Molecular Formula: | C20 H18 F2 N4 O3 |
| Smiles: | CC(C[n+]1c(C(NCc2ccc(cc2)F)=O)c(n(Cc2ccc(cc2)F)n1)[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.492 |
| logD: | 1.492 |
| logSw: | -2.0682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.65 |
| InChI Key: | YPDKQGWOSHJJOE-UHFFFAOYSA-N |