4-(6-methoxy-4-oxo-1,4-dihydroquinoline-3-sulfonyl)benzonitrile
Chemical Structure Depiction of
4-(6-methoxy-4-oxo-1,4-dihydroquinoline-3-sulfonyl)benzonitrile
4-(6-methoxy-4-oxo-1,4-dihydroquinoline-3-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | C200-7616 |
| Compound Name: | 4-(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(c1ccc(C#N)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3209 |
| logD: | 2.3178 |
| logSw: | -3.0925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.459 |
| InChI Key: | KSXBBWHAWAJWLQ-UHFFFAOYSA-N |