N-(3-acetylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-(3-acetylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0096 |
| Compound Name: | N-(3-acetylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 301.36 |
| Molecular Formula: | C15 H15 N3 O2 S |
| Smiles: | CC(c1cccc(c1)NC(c1cnc(nc1C)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3661 |
| logD: | 2.3237 |
| logSw: | -3.0548 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.548 |
| InChI Key: | YKXOGIPBUUWRIE-UHFFFAOYSA-N |