3-(6-methyl-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile
Chemical Structure Depiction of
3-(6-methyl-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile
3-(6-methyl-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | C200-7213 |
| Compound Name: | 3-(6-methyl-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile |
| Molecular Weight: | 325.34 |
| Molecular Formula: | C17 H11 N O4 S |
| Smiles: | Cc1ccc2c(C=C(C(=O)O2)S(c2cccc(C#N)c2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.6386 |
| logD: | 2.6386 |
| logSw: | -3.0529 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.717 |
| InChI Key: | ZTFLGIHBVKIOIU-UHFFFAOYSA-N |