N-(2H-1,3-benzodioxol-5-yl)-3-(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonyl)propanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonyl)propanamide
N-(2H-1,3-benzodioxol-5-yl)-3-(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonyl)propanamide
Compound characteristics
| Compound ID: | G114-0141 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonyl)propanamide |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C21 H20 N2 O6 S |
| Smiles: | C(CS(c1cc2CCC(N3CCc(c1)c23)=O)(=O)=O)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1173 |
| logD: | 2.1169 |
| logSw: | -3.0929 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.871 |
| InChI Key: | WEXRVMGPFJSNDP-UHFFFAOYSA-N |