6-(azepane-1-sulfonyl)-N-{3-[benzyl(butyl)amino]propyl}-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-{3-[benzyl(butyl)amino]propyl}-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-{3-[benzyl(butyl)amino]propyl}-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2730 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-{3-[benzyl(butyl)amino]propyl}-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 592.8 |
| Molecular Formula: | C33 H44 N4 O4 S |
| Smiles: | CCCCN(CCCNC(C1=CN(CC=C)c2ccc(cc2C1=O)S(N1CCCCCC1)(=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9361 |
| logD: | 3.3736 |
| logSw: | -4.4701 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.049 |
| InChI Key: | TXJHGNHUIJUVFS-UHFFFAOYSA-N |