1-[{1-[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1H-tetrazol-5-yl}(2,4-dichlorophenyl)methyl]piperidine
Chemical Structure Depiction of
1-[{1-[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1H-tetrazol-5-yl}(2,4-dichlorophenyl)methyl]piperidine
1-[{1-[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1H-tetrazol-5-yl}(2,4-dichlorophenyl)methyl]piperidine
Compound characteristics
| Compound ID: | 8004-9364 |
| Compound Name: | 1-[{1-[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1H-tetrazol-5-yl}(2,4-dichlorophenyl)methyl]piperidine |
| Molecular Weight: | 589.96 |
| Molecular Formula: | C27 H31 Cl3 N8 O |
| Smiles: | CC(C)(C)C(C(n1cncn1)Oc1ccc(cc1)[Cl])n1c(C(c2ccc(cc2[Cl])[Cl])N2CCCCC2)nnn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7065 |
| logD: | 6.6377 |
| logSw: | -6.4801 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.119 |
| InChI Key: | MTZYTVPWNKJISO-UHFFFAOYSA-N |