4-[{1-[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1H-tetrazol-5-yl}(phenyl)methyl]morpholine
Chemical Structure Depiction of
4-[{1-[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1H-tetrazol-5-yl}(phenyl)methyl]morpholine
4-[{1-[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1H-tetrazol-5-yl}(phenyl)methyl]morpholine
Compound characteristics
| Compound ID: | 8005-2594 |
| Compound Name: | 4-[{1-[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1H-tetrazol-5-yl}(phenyl)methyl]morpholine |
| Molecular Weight: | 523.04 |
| Molecular Formula: | C26 H31 Cl N8 O2 |
| Smiles: | CC(C)(C)C(C(n1cncn1)Oc1ccc(cc1)[Cl])n1c(C(c2ccccc2)N2CCOCC2)nnn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2853 |
| logD: | 4.2818 |
| logSw: | -4.5598 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 80.027 |
| InChI Key: | BDBNAVMWQVZKFU-UHFFFAOYSA-N |