N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-4-oxo-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-4-oxo-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-4-oxo-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-1314 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-4-oxo-6-(pyrrolidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 483.54 |
| Molecular Formula: | C24 H25 N3 O6 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCCC1)(=O)=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4696 |
| logD: | 2.4696 |
| logSw: | -3.0868 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.164 |
| InChI Key: | GPNIUESFHMOGPC-UHFFFAOYSA-N |