2-({[3-(3-methoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[3-(3-methoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
2-({[3-(3-methoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | K263-0449 |
| Compound Name: | 2-({[3-(3-methoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C22 H19 N3 O2 S2 |
| Smiles: | COCCCN1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 4.5345 |
| logD: | 4.5345 |
| logSw: | -4.2804 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.914 |
| InChI Key: | IUANUINOCUUSAQ-UHFFFAOYSA-N |