2-{[4-(4-chlorophenoxy)butyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[4-(4-chlorophenoxy)butyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
2-{[4-(4-chlorophenoxy)butyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0020 |
| Compound Name: | 2-{[4-(4-chlorophenoxy)butyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C21 H18 Cl N3 O2 S |
| Smiles: | C(CCSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)COc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0562 |
| logD: | 1.4878 |
| logSw: | -5.3592 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.856 |
| InChI Key: | OEUJBIBQBKIKPG-UHFFFAOYSA-N |