6-(azepane-1-sulfonyl)-N-(2,2-dimethoxyethyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-(2,2-dimethoxyethyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-(2,2-dimethoxyethyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2690 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-(2,2-dimethoxyethyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C23 H31 N3 O6 S |
| Smiles: | COC(CNC(C1=CN(CC=C)c2ccc(cc2C1=O)S(N1CCCCCC1)(=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6718 |
| logD: | 1.6717 |
| logSw: | -2.9002 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.034 |
| InChI Key: | SXIRLAAIFLTBSQ-UHFFFAOYSA-N |