N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2-fluorobenzamide
Chemical Structure Depiction of
N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2-fluorobenzamide
N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2-fluorobenzamide
Compound characteristics
| Compound ID: | K415-0195 |
| Compound Name: | N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2-fluorobenzamide |
| Molecular Weight: | 418.43 |
| Molecular Formula: | C23 H19 F N4 O3 |
| Smiles: | COc1ccc(cc1OC)c1cnnn1c1ccc(cc1)NC(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8731 |
| logD: | 3.8723 |
| logSw: | -4.0246 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.575 |
| InChI Key: | CXWIGHYBYUEUAB-UHFFFAOYSA-N |