3-[(4-tert-butylphenoxy)methyl]-5-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(4-tert-butylphenoxy)methyl]-5-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-[(4-tert-butylphenoxy)methyl]-5-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8008-8063 |
| Compound Name: | 3-[(4-tert-butylphenoxy)methyl]-5-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 493.67 |
| Molecular Formula: | C31 H31 N3 O S |
| Smiles: | Cc1ccc2ccccc2c1CSc1nnc(COc2ccc(cc2)C(C)(C)C)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 8.3735 |
| logD: | 8.3735 |
| logSw: | -6.932 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.916 |
| InChI Key: | QRIQCUYKXLOFEG-UHFFFAOYSA-N |