2-(ethylsulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-(ethylsulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
2-(ethylsulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0001 |
| Compound Name: | 2-(ethylsulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 257.31 |
| Molecular Formula: | C13 H11 N3 O S |
| Smiles: | CCSC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3739 |
| logD: | -1.1945 |
| logSw: | -2.8649 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.71 |
| InChI Key: | FJAZUDPNBVRXPS-UHFFFAOYSA-N |