4-tert-butyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-6-phenoxypyrimidine
Chemical Structure Depiction of
4-tert-butyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-6-phenoxypyrimidine
4-tert-butyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-6-phenoxypyrimidine
Compound characteristics
| Compound ID: | V022-5034 |
| Compound Name: | 4-tert-butyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-6-phenoxypyrimidine |
| Molecular Weight: | 384.93 |
| Molecular Formula: | C21 H21 Cl N2 O S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1cccc(c1)[Cl])Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8618 |
| logD: | 6.8618 |
| logSw: | -6.3523 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.9083 |
| InChI Key: | CGWMAIDBGILZAE-UHFFFAOYSA-N |