2-{[4-(4-chlorophenyl)-5-cyano-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-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
2-{[4-(4-chlorophenyl)-5-cyano-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: | D490-0897 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide |
| Molecular Weight: | 481.98 |
| Molecular Formula: | C22 H16 Cl N5 O2 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(CSC1NC(C(C#N)=C(c3ccc(cc3)[Cl])N=1)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.0496 |
| logD: | 0.4966 |
| logSw: | -4.8786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.359 |
| InChI Key: | JITGXCDZUXXIHT-UHFFFAOYSA-N |