6-oxo-2-[(2-phenoxyethyl)sulfanyl]-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
6-oxo-2-[(2-phenoxyethyl)sulfanyl]-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
6-oxo-2-[(2-phenoxyethyl)sulfanyl]-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0011 |
| Compound Name: | 6-oxo-2-[(2-phenoxyethyl)sulfanyl]-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C19 H15 N3 O2 S |
| Smiles: | C(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.391 |
| logD: | -0.1774 |
| logSw: | -3.6679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.856 |
| InChI Key: | GHUXXGVRVAFXBW-UHFFFAOYSA-N |