2-{[(3-bromophenyl)methyl]sulfanyl}-3-(3-ethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-bromophenyl)methyl]sulfanyl}-3-(3-ethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
2-{[(3-bromophenyl)methyl]sulfanyl}-3-(3-ethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0520 |
| Compound Name: | 2-{[(3-bromophenyl)methyl]sulfanyl}-3-(3-ethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 489.45 |
| Molecular Formula: | C22 H21 Br N2 O2 S2 |
| Smiles: | CCOCCCN1C(=Nc2c3ccccc3sc2C1=O)SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.7467 |
| logD: | 5.7467 |
| logSw: | -5.5873 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.493 |
| InChI Key: | FOCPCIKNAQDKAG-UHFFFAOYSA-N |