2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | D285-0215 |
| Compound Name: | 2-{[5-cyano-4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C23 H19 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)C1=C(C#N)C(NC(=N1)SCC(Nc1c(C#N)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8782 |
| logD: | 0.3252 |
| logSw: | -4.2216 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.359 |
| InChI Key: | VOTKGMMHBLWZBO-UHFFFAOYSA-N |