4-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-6-[3-(propan-2-yl)phenoxy]pyrimidine
Chemical Structure Depiction of
4-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-6-[3-(propan-2-yl)phenoxy]pyrimidine
4-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-6-[3-(propan-2-yl)phenoxy]pyrimidine
Compound characteristics
| Compound ID: | V022-7519 |
| Compound Name: | 4-ethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-6-[3-(propan-2-yl)phenoxy]pyrimidine |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)[N+]([O-])=O)Oc1cccc(c1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.4558 |
| logD: | 6.4558 |
| logSw: | -5.8192 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.785 |
| InChI Key: | VULJFVFTDNNUTE-UHFFFAOYSA-N |