6-(azepane-1-sulfonyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2699 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 499.67 |
| Molecular Formula: | C27 H37 N3 O4 S |
| Smiles: | CC1CCCC(C1C)NC(C1=CN(CC=C)c2ccc(cc2C1=O)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3284 |
| logD: | 4.3284 |
| logSw: | -4.2412 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.383 |
| InChI Key: | IWDODUKFAARXQC-UHFFFAOYSA-N |