4-(3-methoxy-4-propoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(3-methoxy-4-propoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile
4-(3-methoxy-4-propoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0823 |
| Compound Name: | 4-(3-methoxy-4-propoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 317.36 |
| Molecular Formula: | C15 H15 N3 O3 S |
| Smiles: | CCCOc1ccc(cc1OC)C1=C(C#N)C(NC(=N1)S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0362 |
| logD: | -1.2634 |
| logSw: | -2.8567 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.805 |
| InChI Key: | ZGRRXRIBTKFGHT-UHFFFAOYSA-N |