methyl 6-(azepane-1-sulfonyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 6-(azepane-1-sulfonyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxylate
methyl 6-(azepane-1-sulfonyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | K780-0377 |
| Compound Name: | methyl 6-(azepane-1-sulfonyl)-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 404.48 |
| Molecular Formula: | C20 H24 N2 O5 S |
| Smiles: | COC(C1=CN(CC=C)c2ccc(cc2C1=O)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5051 |
| logD: | 2.5051 |
| logSw: | -2.9626 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.028 |
| InChI Key: | XAFHCTQFWDFLOF-UHFFFAOYSA-N |