4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(3-methylphenoxy)pyrimidine
Chemical Structure Depiction of
4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(3-methylphenoxy)pyrimidine
4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(3-methylphenoxy)pyrimidine
Compound characteristics
| Compound ID: | V002-0558 |
| Compound Name: | 4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(3-methylphenoxy)pyrimidine |
| Molecular Weight: | 398.95 |
| Molecular Formula: | C22 H23 Cl N2 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)Oc1cc(C(C)(C)C)nc(n1)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.2989 |
| logD: | 7.2989 |
| logSw: | -6.5631 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.9083 |
| InChI Key: | YFJNKDISUGMGKM-UHFFFAOYSA-N |