3-[(2-chlorophenyl)methyl]-5-methyl-N-(3-nitrophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-5-methyl-N-(3-nitrophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[(2-chlorophenyl)methyl]-5-methyl-N-(3-nitrophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0418 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-5-methyl-N-(3-nitrophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 454.89 |
| Molecular Formula: | C21 H15 Cl N4 O4 S |
| Smiles: | Cc1c2C(N(Cc3ccccc3[Cl])C=Nc2sc1C(Nc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3256 |
| logD: | 4.0633 |
| logSw: | -4.7228 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.714 |
| InChI Key: | XJIDUDAORQRXFP-UHFFFAOYSA-N |