1-[(4-ethenylanilino)methyl]-4-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
1-[(4-ethenylanilino)methyl]-4-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
1-[(4-ethenylanilino)methyl]-4-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | C200-9592 |
| Compound Name: | 1-[(4-ethenylanilino)methyl]-4-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C15 H14 N4 O S |
| Smiles: | CSC1=C(C#N)C(N(CNc2ccc(C=C)cc2)C=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.377 |
| logD: | 2.377 |
| logSw: | -2.6624 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.898 |
| InChI Key: | FMTONPYSGYTJCD-UHFFFAOYSA-N |