N-[(3-methylphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
N-[(3-methylphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0416 |
| Compound Name: | N-[(3-methylphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C20 H19 N3 O S |
| Smiles: | Cc1cccc(CNC(c2cnc(nc2c2ccccc2)SC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5507 |
| logD: | 4.5507 |
| logSw: | -4.3226 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.966 |
| InChI Key: | QIJOOQYUWFVOAN-UHFFFAOYSA-N |