N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-0298 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C21 H16 N4 O3 S2 |
| Smiles: | Cc1nnc(Sc2cc(C(NCc3ccc4c(c3)OCO4)=O)c3ccccc3n2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3659 |
| logD: | 4.3659 |
| logSw: | -4.2827 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.859 |
| InChI Key: | PEMLFZRHYRKCON-UHFFFAOYSA-N |