2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 3-nitrobenzoate
Chemical Structure Depiction of
2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 3-nitrobenzoate
2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3810-0672 |
| Compound Name: | 2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 3-nitrobenzoate |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C25 H21 N3 O6 S |
| Smiles: | CCOc1cc(ccc1OC(c1cccc(c1)[N+]([O-])=O)=O)C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7198 |
| logD: | 4.7135 |
| logSw: | -4.7061 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.77 |
| InChI Key: | LZEXXFXEKRYAQJ-UHFFFAOYSA-N |