3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-0065 |
| Compound Name: | 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c(C)c(C)sc2N(Cc2ccc(cc2)[N+]([O-])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8937 |
| logD: | 4.8937 |
| logSw: | -4.6756 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.612 |
| InChI Key: | DMURTOXNEIPWNV-UHFFFAOYSA-N |