3-(2,4-dimethoxyphenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(2,4-dimethoxyphenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-(2,4-dimethoxyphenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-0321 |
| Compound Name: | 3-(2,4-dimethoxyphenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C23 H21 N3 O6 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccc(cc3)[N+]([O-])=O)c2sc1C)=O)c1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7278 |
| logD: | 4.7278 |
| logSw: | -4.7956 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.362 |
| InChI Key: | ODAXEFGVAFCTFR-UHFFFAOYSA-N |