N-[(2-methylphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(2-methylphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
N-[(2-methylphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0562 |
| Compound Name: | N-[(2-methylphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C20 H19 N3 O S |
| Smiles: | Cc1ccccc1CNC(c1cnc(nc1c1ccccc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7502 |
| logD: | 4.7501 |
| logSw: | -4.4802 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.966 |
| InChI Key: | AQWXEPUNWRTNKI-UHFFFAOYSA-N |