6-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
6-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C208-0040 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| Molecular Weight: | 483.54 |
| Molecular Formula: | C24 H25 N3 O6 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)C(=CC(N2)=O)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9175 |
| logD: | 2.8753 |
| logSw: | -3.606 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.63 |
| InChI Key: | VBAXBGRDXORFAH-UHFFFAOYSA-N |