3-[(4-tert-butylphenoxy)methyl]-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(4-tert-butylphenoxy)methyl]-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
3-[(4-tert-butylphenoxy)methyl]-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-1068 |
| Compound Name: | 3-[(4-tert-butylphenoxy)methyl]-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 385.5 |
| Molecular Formula: | C21 H24 F N3 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nnc(n1C)SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.7811 |
| logD: | 4.7811 |
| logSw: | -4.5505 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.526 |
| InChI Key: | RQNRWZYDIXJMSR-UHFFFAOYSA-N |