N-[2-(2-chlorophenyl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[2-(2-chlorophenyl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
N-[2-(2-chlorophenyl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0654 |
| Compound Name: | N-[2-(2-chlorophenyl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide |
| Molecular Weight: | 383.9 |
| Molecular Formula: | C20 H18 Cl N3 O S |
| Smiles: | CSc1ncc(C(NCCc2ccccc2[Cl])=O)c(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6326 |
| logD: | 4.6326 |
| logSw: | -4.7622 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.807 |
| InChI Key: | TVOLAOWGMDYXPQ-UHFFFAOYSA-N |