3-{[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K018-0061 |
| Compound Name: | 3-{[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C26 H21 N5 O S |
| Smiles: | C1CCc2c(C1)c1C(N(C=Nc1s2)/N=C/c1cn(c2ccccc2)nc1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9539 |
| logD: | 4.8973 |
| logSw: | -4.9158 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.669 |
| InChI Key: | MPRKYNAPSBJODW-UHFFFAOYSA-N |