N-[2-(azepan-1-yl)ethyl]-1-methyl-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-1-methyl-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[2-(azepan-1-yl)ethyl]-1-methyl-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-0505 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-1-methyl-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C23 H32 N4 O5 S |
| Smiles: | CN1C=C(C(c2cc(ccc12)S(N1CCOCC1)(=O)=O)=O)C(NCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9463 |
| logD: | -0.9414 |
| logSw: | -2.6553 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.737 |
| InChI Key: | VMHKCLUNALQUIL-UHFFFAOYSA-N |