3-(7-methoxy-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile
Chemical Structure Depiction of
3-(7-methoxy-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile
3-(7-methoxy-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | C200-7211 |
| Compound Name: | 3-(7-methoxy-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile |
| Molecular Weight: | 341.34 |
| Molecular Formula: | C17 H11 N O5 S |
| Smiles: | COc1ccc2C=C(C(=O)Oc2c1)S(c1cccc(C#N)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3871 |
| logD: | 2.3871 |
| logSw: | -2.9324 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.261 |
| InChI Key: | QNVLCOHOEDGLBM-UHFFFAOYSA-N |