3,3'-[(3-nitrophenyl)methylene]bis(4-hydroxy-2H-1-benzothiopyran-2-one)
Chemical Structure Depiction of
3,3'-[(3-nitrophenyl)methylene]bis(4-hydroxy-2H-1-benzothiopyran-2-one)
3,3'-[(3-nitrophenyl)methylene]bis(4-hydroxy-2H-1-benzothiopyran-2-one)
Compound characteristics
| Compound ID: | 5982-0160 |
| Compound Name: | 3,3'-[(3-nitrophenyl)methylene]bis(4-hydroxy-2H-1-benzothiopyran-2-one) |
| Molecular Weight: | 489.52 |
| Molecular Formula: | C25 H15 N O6 S2 |
| Smiles: | c1ccc2c(c1)C(=C(C(C1=C(c3ccccc3SC1=O)O)c1cccc(c1)[N+]([O-])=O)C(=O)S2)O |
| Stereo: | ACHIRAL |
| logP: | 4.8751 |
| logD: | 3.5263 |
| logSw: | -4.6208 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.205 |
| InChI Key: | AKIFOKNYWBTWBN-UHFFFAOYSA-N |