3-benzyl-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-benzyl-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-benzyl-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C200-0576 |
| Compound Name: | 3-benzyl-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | C1CCc2c(C1)c1C(N(Cc3ccccc3)C(N(Cc3ccc(cc3)[N+]([O-])=O)c1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6825 |
| logD: | 5.6825 |
| logSw: | -5.7305 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.021 |
| InChI Key: | GLFBCTBHUZSWQA-UHFFFAOYSA-N |