6-(azepane-1-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-0591 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C25 H33 N3 O4 S |
| Smiles: | CN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(NCCC1CCCCC=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0605 |
| logD: | 3.0605 |
| logSw: | -3.7365 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.038 |
| InChI Key: | NWWPALQMQRMJHU-UHFFFAOYSA-N |