4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0289 |
| Compound Name: | 4-(4-tert-butylphenyl)-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 299.39 |
| Molecular Formula: | C16 H17 N3 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=C(C#N)C(NC(=N1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8348 |
| logD: | -0.1807 |
| logSw: | -3.9661 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.71 |
| InChI Key: | PGBIDGBOMNRAIF-UHFFFAOYSA-N |