2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0012 |
| Compound Name: | 2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C20 H17 N3 O3 S |
| Smiles: | COc1ccc(cc1)OCCSC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.402 |
| logD: | -0.1665 |
| logSw: | -3.7135 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.4 |
| InChI Key: | NMVCITGKYISWFA-UHFFFAOYSA-N |