6-oxo-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
6-oxo-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
6-oxo-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0142 |
| Compound Name: | 6-oxo-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C17 H11 N3 O2 S2 |
| Smiles: | C(C(c1cccs1)=O)SC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8501 |
| logD: | -0.5962 |
| logSw: | -3.458 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.704 |
| InChI Key: | WPUWTVBDBPZYDE-UHFFFAOYSA-N |