4-(3-chlorophenoxy)-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine
Chemical Structure Depiction of
4-(3-chlorophenoxy)-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine
4-(3-chlorophenoxy)-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine
Compound characteristics
| Compound ID: | V002-0978 |
| Compound Name: | 4-(3-chlorophenoxy)-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine |
| Molecular Weight: | 415.9 |
| Molecular Formula: | C20 H18 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1ccc(cc1)[N+]([O-])=O)Oc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.2344 |
| logD: | 6.2344 |
| logSw: | -6.2812 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.29 |
| InChI Key: | SAJHXWYEEGOUAD-UHFFFAOYSA-N |