2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0005 |
| Compound Name: | 2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 283.35 |
| Molecular Formula: | C15 H13 N3 O S |
| Smiles: | CC(=C)CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9983 |
| logD: | -0.652 |
| logSw: | -3.3291 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.71 |
| InChI Key: | ZVCPILBBKZDDQV-UHFFFAOYSA-N |