3-[(3-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(3-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-[(3-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K668-0046 |
| Compound Name: | 3-[(3-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C17 H15 N3 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(Cc3cccc(c3)[N+]([O-])=O)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1915 |
| logD: | 3.1915 |
| logSw: | -3.4818 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.543 |
| InChI Key: | SFAOFBQJLCRNMD-UHFFFAOYSA-N |