2-(benzylsulfanyl)-5-chloro-N-(2-nitrophenyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-chloro-N-(2-nitrophenyl)pyrimidine-4-carboxamide
2-(benzylsulfanyl)-5-chloro-N-(2-nitrophenyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | Y070-0993 |
| Compound Name: | 2-(benzylsulfanyl)-5-chloro-N-(2-nitrophenyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 400.84 |
| Molecular Formula: | C18 H13 Cl N4 O3 S |
| Smiles: | C(c1ccccc1)Sc1ncc(c(C(Nc2ccccc2[N+]([O-])=O)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4887 |
| logD: | 3.211 |
| logSw: | -4.5058 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.026 |
| InChI Key: | KFYRCRRLFYDVRK-UHFFFAOYSA-N |