2-{[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile
2-{[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K263-0523 |
| Compound Name: | 2-{[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C24 H23 N3 O2 S2 |
| Smiles: | CC(C)OCCCN1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.0085 |
| logD: | 5.0085 |
| logSw: | -4.7648 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.773 |
| InChI Key: | CEFDZCQUQAMLPU-UHFFFAOYSA-N |