N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
Compound characteristics
| Compound ID: | C498-0635 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C21 H16 N2 O4 S |
| Smiles: | CN1C(c2cc(C(NCc3ccc4c(c3)OCO4)=O)sc2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2925 |
| logD: | 3.2925 |
| logSw: | -3.8426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.654 |
| InChI Key: | KBSFWLBEAZBITC-UHFFFAOYSA-N |