N-(4-{2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl}phenyl)acetamide
N-(4-{2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl}phenyl)acetamide
Compound characteristics
| Compound ID: | K843-0023 |
| Compound Name: | N-(4-{2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl}phenyl)acetamide |
| Molecular Weight: | 469.62 |
| Molecular Formula: | C24 H27 N3 O3 S2 |
| Smiles: | CC(Nc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCCCc1s2)SCC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3518 |
| logD: | 4.3518 |
| logSw: | -4.4641 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.763 |
| InChI Key: | YNWNWXLWZDDXLZ-UHFFFAOYSA-N |