2-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | D285-0045 |
| Compound Name: | 2-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C22 H19 N5 O3 S2 |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(CSC1NC(C(C#N)=C(c3ccccc3)N=1)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.6669 |
| logD: | -1.8861 |
| logSw: | -2.373 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.362 |
| InChI Key: | YACSIHHSOJHNBO-UHFFFAOYSA-N |