3-{[(1-methyl-1H-indol-3-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(1-methyl-1H-indol-3-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{[(1-methyl-1H-indol-3-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K018-0022 |
| Compound Name: | 3-{[(1-methyl-1H-indol-3-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cn1cc(/C=N/N2C=Nc3c(C2=O)c2CCCCc2s3)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.6511 |
| logD: | 3.625 |
| logSw: | -4.1248 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.596 |
| InChI Key: | JDAHHJSINQSHNT-UHFFFAOYSA-N |