N-{3-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{3-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide
N-{3-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V027-5299 |
| Compound Name: | N-{3-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide |
| Molecular Weight: | 447.36 |
| Molecular Formula: | C22 H24 Cl2 N4 O2 |
| Salt: | not_available |
| Smiles: | CCOc1nc(c2ccc(c(c2)[Cl])[Cl])n(c2cccc(c2)NC(CC(C)(C)C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.9014 |
| logD: | 6.9014 |
| logSw: | -6.476 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.963 |
| InChI Key: | TYNPGNICGNKYDN-UHFFFAOYSA-N |