3-[(2-chlorophenyl)methyl]-5-methyl-N-(3-nitro-5-phenoxyphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-5-methyl-N-(3-nitro-5-phenoxyphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[(2-chlorophenyl)methyl]-5-methyl-N-(3-nitro-5-phenoxyphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K821-0391 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-5-methyl-N-(3-nitro-5-phenoxyphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 546.99 |
| Molecular Formula: | C27 H19 Cl N4 O5 S |
| Smiles: | Cc1c2C(N(Cc3ccccc3[Cl])C=Nc2sc1C(Nc1cc(cc(c1)Oc1ccccc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0941 |
| logD: | 5.8549 |
| logSw: | -6.1457 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.462 |
| InChI Key: | PKXBDMDXWAHAOO-UHFFFAOYSA-N |