4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine
Chemical Structure Depiction of
4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine
4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine
Compound characteristics
Compound ID: | V004-1355 |
Compound Name: | 4-tert-butyl-2-{[(2-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)SCc1ccccc1[Cl])Oc1ccc(cc1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 6.8193 |
logD: | 6.8193 |
logSw: | -6.4584 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 57.29 |
InChI Key: | CQPJCKDLYHXDEC-UHFFFAOYSA-N |