6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0136 |
| Compound Name: | 6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 347.39 |
| Molecular Formula: | C19 H13 N3 O2 S |
| Smiles: | C(C(c1ccccc1)=O)SC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7425 |
| logD: | -0.663 |
| logSw: | -3.3377 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.685 |
| InChI Key: | VAAUQOIAHGQVPH-UHFFFAOYSA-N |