N-{4-[5-(4-fluorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{4-[5-(4-fluorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide
N-{4-[5-(4-fluorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V003-3804 |
| Compound Name: | N-{4-[5-(4-fluorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C21 H23 F N4 O2 |
| Smiles: | CC(C)(C)CC(Nc1ccc(cc1)n1c(c2ccc(cc2)F)nc(n1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9731 |
| logD: | 4.9731 |
| logSw: | -4.6753 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.383 |
| InChI Key: | YCXDWFPFVDQVLR-UHFFFAOYSA-N |