2-({[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
2-({[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
Compound ID: | K263-0726 |
Compound Name: | 2-({[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
Molecular Weight: | 479.62 |
Molecular Formula: | C25 H25 N3 O3 S2 |
Smiles: | CCOC(CCN1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1C#N)OCC |
Stereo: | ACHIRAL |
logP: | 4.9391 |
logD: | 4.9391 |
logSw: | -4.8176 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 56.226 |
InChI Key: | QZSNGMLYSHFAPK-UHFFFAOYSA-N |