3-(4-ethoxyphenyl)-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-(4-ethoxyphenyl)-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C200-0820 |
| Compound Name: | 3-(4-ethoxyphenyl)-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C25 H23 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c3CCCCc3sc2N(Cc2ccc(cc2)[N+]([O-])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3513 |
| logD: | 5.3513 |
| logSw: | -5.2097 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.533 |
| InChI Key: | KHITVMOPPUQKRE-UHFFFAOYSA-N |