N-[2-(azepan-1-yl)ethyl]-6-(diethylsulfamoyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-6-(diethylsulfamoyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
N-[2-(azepan-1-yl)ethyl]-6-(diethylsulfamoyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2298 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-6-(diethylsulfamoyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 488.65 |
| Molecular Formula: | C25 H36 N4 O4 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)C(C(=CN2CC=C)C(NCCN1CCCCCC1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6293 |
| logD: | 0.7417 |
| logSw: | -3.3772 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.477 |
| InChI Key: | DMCMTQVHIMTRNW-UHFFFAOYSA-N |