N-{4-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}heptanamide
Chemical Structure Depiction of
N-{4-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}heptanamide
N-{4-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}heptanamide
Compound characteristics
| Compound ID: | V009-9301 |
| Compound Name: | N-{4-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}heptanamide |
| Molecular Weight: | 461.39 |
| Molecular Formula: | C23 H26 Cl2 N4 O2 |
| Salt: | not_available |
| Smiles: | CCCCCCC(Nc1ccc(cc1)n1c(c2ccc(c(c2)[Cl])[Cl])nc(n1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1773 |
| logD: | 7.1773 |
| logSw: | -6.4838 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.963 |
| InChI Key: | MLEDZPPRBDJTLV-UHFFFAOYSA-N |