2-({3-[(4-methylphenyl)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-[(4-methylphenyl)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-[(4-methylphenyl)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: | K263-0061 |
| Compound Name: | 2-({3-[(4-methylphenyl)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: | 475.59 |
| Molecular Formula: | C24 H21 N5 O2 S2 |
| Smiles: | Cc1ccc(CN2C(=Nc3c4ccccc4sc3C2=O)SCC(Nc2cc(C)[nH]n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9335 |
| logD: | 4.9317 |
| logSw: | -4.7908 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.55 |
| InChI Key: | YBFIQDDLIWNJQW-UHFFFAOYSA-N |