4-(4-chlorophenyl)-2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(4-chlorophenyl)-2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0886 |
| Compound Name: | 4-(4-chlorophenyl)-2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 413.88 |
| Molecular Formula: | C20 H16 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1)OCCSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1017 |
| logD: | 0.5333 |
| logSw: | -4.5653 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.4 |
| InChI Key: | FEUHIWRRFJBJPM-UHFFFAOYSA-N |