4-(3-methoxy-4-propoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(3-methoxy-4-propoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(3-methoxy-4-propoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0316 |
| Compound Name: | 4-(3-methoxy-4-propoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C16 H17 N3 O3 S |
| Smiles: | CCCOc1ccc(cc1OC)C1=C(C#N)C(NC(=N1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6609 |
| logD: | -1.3546 |
| logSw: | -3.1501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.845 |
| InChI Key: | VNIOTTIKBZKSGU-UHFFFAOYSA-N |