ethyl ({3-[(4-methylphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({3-[(4-methylphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
ethyl ({3-[(4-methylphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K263-0036 |
| Compound Name: | ethyl ({3-[(4-methylphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C22 H19 N3 O5 S2 |
| Smiles: | CCOC(CSC1=Nc2c3cc(ccc3sc2C(N1Cc1ccc(C)cc1)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1349 |
| logD: | 5.1349 |
| logSw: | -4.9765 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.078 |
| InChI Key: | LAPNDPALWLBAOB-UHFFFAOYSA-N |