6-(azepane-1-sulfonyl)-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | K788-5582 |
| Compound Name: | 6-(azepane-1-sulfonyl)-1-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Smiles: | CN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3071 |
| logD: | 1.307 |
| logSw: | -2.6793 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.659 |
| InChI Key: | VIUSPYWZTYUUQA-MRXNPFEDSA-N |