3-benzyl-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-benzyl-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-benzyl-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-0916 |
| Compound Name: | 3-benzyl-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C22 H19 N3 O4 S |
| Smiles: | Cc1c2C(N(Cc3ccccc3)C(N(Cc3ccc(cc3)[N+]([O-])=O)c2sc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2249 |
| logD: | 5.2249 |
| logSw: | -5.16 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.1 |
| InChI Key: | PKPAXVBISNCPRS-UHFFFAOYSA-N |