3-benzyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-benzyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | 8019-9003 |
Compound Name: | 3-benzyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
Molecular Weight: | 328.45 |
Molecular Formula: | C17 H16 N2 O S2 |
Smiles: | C1CCc2c(C1)c1C(N(Cc3ccccc3)C(=Nc1s2)S)=O |
Stereo: | ACHIRAL |
logP: | 4.1507 |
logD: | 0.1368 |
logSw: | -4.4636 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 25.3717 |
InChI Key: | SHYFDWYGFKOVKX-UHFFFAOYSA-N |