2-(benzylsulfanyl)-4-(3-methoxy-4-propoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(3-methoxy-4-propoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
2-(benzylsulfanyl)-4-(3-methoxy-4-propoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0344 |
| Compound Name: | 2-(benzylsulfanyl)-4-(3-methoxy-4-propoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | CCCOc1ccc(cc1OC)C1=C(C#N)C(NC(=N1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7705 |
| logD: | 0.4409 |
| logSw: | -3.9967 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.573 |
| InChI Key: | UYDFQOGOFNVYDE-UHFFFAOYSA-N |