3-{[(3-bromo-4-hydroxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(3-bromo-4-hydroxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{[(3-bromo-4-hydroxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4215-0120 |
| Compound Name: | 3-{[(3-bromo-4-hydroxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 404.28 |
| Molecular Formula: | C17 H14 Br N3 O2 S |
| Smiles: | C1CCc2c(C1)c1C(N(C=Nc1s2)/N=C/c1ccc(c(c1)[Br])O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4965 |
| logD: | 3.4702 |
| logSw: | -3.6903 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.585 |
| InChI Key: | IOPFEDYMVREMJX-UHFFFAOYSA-N |