N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-3644 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C25 H19 N3 O4 S2 |
| Smiles: | COc1cccc(c1)c1cc(C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0488 |
| logD: | 5.0486 |
| logSw: | -4.8865 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.443 |
| InChI Key: | IOFHTVYNLNHOJK-UHFFFAOYSA-N |