5-{2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-{2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
5-{2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8016-0064 |
| Compound Name: | 5-{2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C21 H19 N7 O3 S2 |
| Smiles: | C1CCc2c(C1)c1C(NC(=Nc1s2)SCC(Nc1c(C(N)=O)nn(c2ccccc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9753 |
| logD: | 1.9498 |
| logSw: | -2.5201 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 117.275 |
| InChI Key: | IWFPEYSZRXHHCH-UHFFFAOYSA-N |