5-{2-[(3,5-di-tert-butyl-4-fluorophenyl)sulfanyl]ethyl}-2-methylpyridine--oxalic acid (1/1)
Chemical Structure Depiction of
5-{2-[(3,5-di-tert-butyl-4-fluorophenyl)sulfanyl]ethyl}-2-methylpyridine--oxalic acid (1/1)
5-{2-[(3,5-di-tert-butyl-4-fluorophenyl)sulfanyl]ethyl}-2-methylpyridine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 1595-0113 |
| Compound Name: | 5-{2-[(3,5-di-tert-butyl-4-fluorophenyl)sulfanyl]ethyl}-2-methylpyridine--oxalic acid (1/1) |
| Molecular Weight: | 449.58 |
| Molecular Formula: | C22 H30 F N S |
| Salt: | HOOCCOOH |
| Smiles: | Cc1ccc(CCSc2cc(c(c(c2)C(C)(C)C)F)C(C)(C)C)cn1 |
| Stereo: | ACHIRAL |
| logP: | 6.5267 |
| logD: | 6.5161 |
| logSw: | -5.9177 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 8.9107 |
| InChI Key: | DIVSRTATCRWLQE-UHFFFAOYSA-N |