3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K018-0057 |
| Compound Name: | 3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 488.74 |
| Molecular Formula: | C20 H11 Br Cl N3 O3 S |
| Smiles: | C1Oc2cc(/C=N/N3C=Nc4c(C3=O)c(cs4)c3ccc(cc3)[Cl])c(cc2O1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0232 |
| logD: | 5.01 |
| logSw: | -5.4355 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.96 |
| InChI Key: | DLFMRQRHIGWHLA-UHFFFAOYSA-N |