2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Chemical Structure Depiction of
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Compound characteristics
| Compound ID: | K263-0088 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide |
| Molecular Weight: | 505.57 |
| Molecular Formula: | C24 H19 N5 O4 S2 |
| Smiles: | Cc1cc(NC(CSC2=Nc3c4ccccc4sc3C(N2Cc2ccc3c(c2)OCO3)=O)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.3813 |
| logD: | 4.3795 |
| logSw: | -4.3746 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.665 |
| InChI Key: | UCTDQJBQTUUCAR-UHFFFAOYSA-N |