ethyl [(3-benzyl-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(3-benzyl-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate
ethyl [(3-benzyl-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | K263-0042 |
| Compound Name: | ethyl [(3-benzyl-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C21 H17 N3 O5 S2 |
| Smiles: | CCOC(CSC1=Nc2c3cc(ccc3sc2C(N1Cc1ccccc1)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7115 |
| logD: | 4.7115 |
| logSw: | -4.5223 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.078 |
| InChI Key: | ZIIGURMTQKBLQQ-UHFFFAOYSA-N |