4-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine
Chemical Structure Depiction of
4-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine
4-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine
Compound characteristics
| Compound ID: | V022-7984 |
| Compound Name: | 4-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(4-nitrophenoxy)pyrimidine |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C19 H17 N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(CSc2nc(C)cc(n2)Oc2ccc(cc2)[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3638 |
| logD: | 5.3638 |
| logSw: | -5.4553 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.096 |
| InChI Key: | NNGGJJMOSBLMSE-UHFFFAOYSA-N |