6-(azepane-1-sulfonyl)-N-(2,2-dimethoxyethyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-(2,2-dimethoxyethyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-(2,2-dimethoxyethyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-0579 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-(2,2-dimethoxyethyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C21 H29 N3 O6 S |
| Smiles: | CN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(NCC(OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8052 |
| logD: | 0.8051 |
| logSw: | -2.6765 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.77 |
| InChI Key: | RSMKSLOTXWDFLN-UHFFFAOYSA-N |