3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K018-0056 |
| Compound Name: | 3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 432.29 |
| Molecular Formula: | C18 H14 Br N3 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(C=Nc1s2)/N=C/c1cc2c(cc1[Br])OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9014 |
| logD: | 3.8925 |
| logSw: | -4.2147 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.152 |
| InChI Key: | NBRFKHPIYQDGLB-QPSGOUHRSA-N |