N-benzyl-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-benzyl-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
N-benzyl-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0016 |
| Compound Name: | N-benzyl-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 293.77 |
| Molecular Formula: | C13 H12 Cl N3 O S |
| Smiles: | [H]N(Cc1ccccc1)C(c1c(cnc(n1)SC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9307 |
| logD: | 2.9303 |
| logSw: | -3.4717 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.237 |
| InChI Key: | VZUTUOMBQGFPQQ-UHFFFAOYSA-N |