2-({5-cyano-4-[4-(dimethylamino)phenyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Chemical Structure Depiction of
2-({5-cyano-4-[4-(dimethylamino)phenyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
2-({5-cyano-4-[4-(dimethylamino)phenyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Compound characteristics
| Compound ID: | Y505-4324 |
| Compound Name: | 2-({5-cyano-4-[4-(dimethylamino)phenyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide |
| Molecular Weight: | 518.66 |
| Molecular Formula: | C26 H26 N6 O2 S2 |
| Smiles: | CCC(C(Nc1c(C#N)c2CCCCc2s1)=O)SC1NC(C(C#N)=C(c2ccc(cc2)N(C)C)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7493 |
| logD: | 1.6433 |
| logSw: | -4.5991 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.377 |
| InChI Key: | RUVJGVFBIFIXNI-FQEVSTJZSA-N |