N-[(3-bromophenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
N-[(3-bromophenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0561 |
| Compound Name: | N-[(3-bromophenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide |
| Molecular Weight: | 414.32 |
| Molecular Formula: | C19 H16 Br N3 O S |
| Smiles: | CSc1ncc(C(NCc2cccc(c2)[Br])=O)c(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6151 |
| logD: | 4.6151 |
| logSw: | -4.3393 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.966 |
| InChI Key: | VBWKPSDTSGTNIM-UHFFFAOYSA-N |