3-{[(5-bromo-2-hydroxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(5-bromo-2-hydroxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{[(5-bromo-2-hydroxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4215-0147 |
| Compound Name: | 3-{[(5-bromo-2-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/c1cc(ccc1O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0615 |
| logD: | 4.0576 |
| logSw: | -4.0628 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.585 |
| InChI Key: | HWZDDTYQDZUCTK-UHFFFAOYSA-N |