2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0013 |
| Compound Name: | 2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 363.44 |
| Molecular Formula: | C20 H17 N3 O2 S |
| Smiles: | Cc1cccc(c1)OCCSC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9108 |
| logD: | 0.3424 |
| logSw: | -3.9251 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.856 |
| InChI Key: | UTWDWUMQRSWLGX-UHFFFAOYSA-N |