2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K263-0073 |
| 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-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 509.6 |
| Molecular Formula: | C25 H23 N3 O5 S2 |
| Smiles: | C1CC(CNC(CSC2=Nc3c4ccccc4sc3C(N2Cc2ccc3c(c2)OCO3)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5458 |
| logD: | 3.5458 |
| logSw: | -3.8474 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.507 |
| InChI Key: | QFTCNDROIRGQIC-MRXNPFEDSA-N |