4-(4-chloro-3-methylphenoxy)-6-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidine
Chemical Structure Depiction of
4-(4-chloro-3-methylphenoxy)-6-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidine
4-(4-chloro-3-methylphenoxy)-6-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidine
Compound characteristics
| Compound ID: | V003-0265 |
| Compound Name: | 4-(4-chloro-3-methylphenoxy)-6-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidine |
| Molecular Weight: | 415.9 |
| Molecular Formula: | C20 H18 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)[N+]([O-])=O)Oc1ccc(c(C)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.4686 |
| logD: | 6.4686 |
| logSw: | -6.4263 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.785 |
| InChI Key: | QYIRGJZFCGBVFX-UHFFFAOYSA-N |