2-{[5-cyano-4-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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: | 3698-0273 |
| Compound Name: | 2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C23 H19 N5 O3 S2 |
| Smiles: | COc1cccc(c1)C1=C(C#N)C(NC(=N1)SCC(Nc1c(C#N)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4912 |
| logD: | -0.0618 |
| logSw: | -4.1213 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.903 |
| InChI Key: | GZYVCJDJIJOBHP-UHFFFAOYSA-N |