2-[({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
2-[({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile
2-[({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | K263-0637 |
| Compound Name: | 2-[({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C28 H20 N4 O S2 |
| Smiles: | C(CN1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1C#N)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.1422 |
| logD: | 6.1422 |
| logSw: | -6.0915 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.171 |
| InChI Key: | AZSTZQPOPXUGQA-UHFFFAOYSA-N |