N-(2-cyanoethyl)-N-methyl-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-N-methyl-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-(2-cyanoethyl)-N-methyl-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C385-0709 |
| Compound Name: | N-(2-cyanoethyl)-N-methyl-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C21 H20 N4 O4 S2 |
| Smiles: | CN(CCC#N)C(C1=CNc2ccc(cc2C1=O)S(Nc1cccc(c1)SC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8389 |
| logD: | 0.2675 |
| logSw: | -2.8751 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.9 |
| InChI Key: | AMQIZVHWLQQGTI-UHFFFAOYSA-N |