4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidine
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidine
4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidine
Compound characteristics
| Compound ID: | V002-9115 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}pyrimidine |
| Molecular Weight: | 411.43 |
| Molecular Formula: | C20 H17 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)[N+]([O-])=O)Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.925 |
| logD: | 4.925 |
| logSw: | -4.7687 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.901 |
| InChI Key: | QROUFWZSYWOWGS-UHFFFAOYSA-N |