2-[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-methoxy-3-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-methoxy-3-nitrophenyl)ethan-1-one
2-[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-methoxy-3-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8010-5524 |
| Compound Name: | 2-[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-methoxy-3-nitrophenyl)ethan-1-one |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C17 H15 N3 O5 S2 |
| Smiles: | Cc1c2c(nc(nc2sc1C)SCC(c1ccc(c(c1)[N+]([O-])=O)OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.6378 |
| logD: | 3.457 |
| logSw: | -4.2281 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.283 |
| InChI Key: | QPTBOEBDNOQGQH-UHFFFAOYSA-N |