3-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide
3-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide
Compound characteristics
| Compound ID: | K784-1492 |
| Compound Name: | 3-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Smiles: | Cc1ccc(C)c(c1)N(C)S(c1ccc2c(c1)C(C(=CN2)C(N1CCCCCC1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5803 |
| logD: | 3.009 |
| logSw: | -4.2981 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.857 |
| InChI Key: | PAIRPYZFHLWEOX-UHFFFAOYSA-N |