N-(2-bromophenyl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-(2-bromophenyl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
N-(2-bromophenyl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0021 |
| Compound Name: | N-(2-bromophenyl)-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 358.64 |
| Molecular Formula: | C12 H9 Br Cl N3 O S |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.8004 |
| logD: | 3.7901 |
| logSw: | -4.1276 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.217 |
| InChI Key: | SKINZPXYNYRPFU-UHFFFAOYSA-N |