4-tert-butyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine
Chemical Structure Depiction of
4-tert-butyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine
4-tert-butyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine
Compound characteristics
| Compound ID: | V006-0914 |
| Compound Name: | 4-tert-butyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine |
| Molecular Weight: | 429.92 |
| Molecular Formula: | C21 H20 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1cccc(c1)[Cl])Oc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.816 |
| logD: | 6.816 |
| logSw: | -6.4421 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.29 |
| InChI Key: | DPMADYDHHSBUQA-UHFFFAOYSA-N |