2-{[3-(4-methylphenoxy)propyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[3-(4-methylphenoxy)propyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
2-{[3-(4-methylphenoxy)propyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0017 |
| Compound Name: | 2-{[3-(4-methylphenoxy)propyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C21 H19 N3 O2 S |
| Smiles: | Cc1ccc(cc1)OCCCSC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4155 |
| logD: | 0.847 |
| logSw: | -4.1523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.856 |
| InChI Key: | JOQYLLFSNPOHLG-UHFFFAOYSA-N |