4-(3,4-dimethylphenoxy)-6-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidine
Chemical Structure Depiction of
4-(3,4-dimethylphenoxy)-6-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidine
4-(3,4-dimethylphenoxy)-6-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidine
Compound characteristics
| Compound ID: | V022-3309 |
| Compound Name: | 4-(3,4-dimethylphenoxy)-6-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidine |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)[N+]([O-])=O)Oc1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2256 |
| logD: | 6.2256 |
| logSw: | -5.6227 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.785 |
| InChI Key: | WLACSOUNVVUNEI-UHFFFAOYSA-N |