N-[{1-[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1H-tetrazol-5-yl}(3-chlorophenyl)methyl]-4-methylaniline
Chemical Structure Depiction of
N-[{1-[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1H-tetrazol-5-yl}(3-chlorophenyl)methyl]-4-methylaniline
N-[{1-[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1H-tetrazol-5-yl}(3-chlorophenyl)methyl]-4-methylaniline
Compound characteristics
| Compound ID: | 8004-2359 |
| Compound Name: | N-[{1-[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1H-tetrazol-5-yl}(3-chlorophenyl)methyl]-4-methylaniline |
| Molecular Weight: | 577.52 |
| Molecular Formula: | C29 H30 Cl2 N8 O |
| Smiles: | Cc1ccc(cc1)NC(c1cccc(c1)[Cl])c1nnnn1C(C(n1cncn1)Oc1ccc(cc1)[Cl])C(C)(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9972 |
| logD: | 6.9972 |
| logSw: | -6.562 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.68 |
| InChI Key: | WFCQHNMAYPPNFZ-UHFFFAOYSA-N |