2-{[(2-bromophenyl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-bromophenyl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(2-bromophenyl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8010-6009 |
| Compound Name: | 2-{[(2-bromophenyl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 421.38 |
| Molecular Formula: | C18 H17 Br N2 O S2 |
| Smiles: | CN1C(=Nc2c(C1=O)c1CCCCc1s2)SCc1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0315 |
| logD: | 5.0315 |
| logSw: | -4.7291 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.6312 |
| InChI Key: | QKAIJKZVXXIUBH-UHFFFAOYSA-N |