2-(benzylsulfanyl)-N-(2-bromo-4-nitrophenyl)-5-chloropyrimidine-4-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(2-bromo-4-nitrophenyl)-5-chloropyrimidine-4-carboxamide
2-(benzylsulfanyl)-N-(2-bromo-4-nitrophenyl)-5-chloropyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | Y070-1470 |
| Compound Name: | 2-(benzylsulfanyl)-N-(2-bromo-4-nitrophenyl)-5-chloropyrimidine-4-carboxamide |
| Molecular Weight: | 479.74 |
| Molecular Formula: | C18 H12 Br Cl N4 O3 S |
| Smiles: | C(c1ccccc1)Sc1ncc(c(C(Nc2ccc(cc2[Br])[N+]([O-])=O)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2886 |
| logD: | 3.9586 |
| logSw: | -5.9113 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.327 |
| InChI Key: | BARPQSCILXRIDB-UHFFFAOYSA-N |