3-(6-methoxy-4-oxo-1,4-dihydroquinoline-3-sulfonyl)benzonitrile
Chemical Structure Depiction of
3-(6-methoxy-4-oxo-1,4-dihydroquinoline-3-sulfonyl)benzonitrile
3-(6-methoxy-4-oxo-1,4-dihydroquinoline-3-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | C200-7461 |
| Compound Name: | 3-(6-methoxy-4-oxo-1,4-dihydroquinoline-3-sulfonyl)benzonitrile |
| Molecular Weight: | 340.36 |
| Molecular Formula: | C17 H12 N2 O4 S |
| Smiles: | COc1ccc2c(c1)C(C(=CN2)S(c1cccc(C#N)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1715 |
| logD: | 2.1684 |
| logSw: | -3.0468 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.459 |
| InChI Key: | XYIOXDPBDJGFQO-UHFFFAOYSA-N |