({3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile
Chemical Structure Depiction of
({3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile
({3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile
Compound characteristics
| Compound ID: | K263-0019 |
| Compound Name: | ({3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C20 H15 N3 O2 S2 |
| Smiles: | COc1ccc(CN2C(=Nc3c4ccccc4sc3C2=O)SCC#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1087 |
| logD: | 4.1087 |
| logSw: | -4.2603 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.573 |
| InChI Key: | IHDTXXFIKZSXRS-UHFFFAOYSA-N |