N-{3-[methyl(phenyl)amino]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-{3-[methyl(phenyl)amino]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-{3-[methyl(phenyl)amino]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | G777-0388 |
| Compound Name: | N-{3-[methyl(phenyl)amino]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C20 H22 N2 O2 S |
| Smiles: | CN(CCCNC(c1cccc2C(CCSc12)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.843 |
| logD: | 2.8381 |
| logSw: | -3.7378 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.866 |
| InChI Key: | ALWLPKNTVOTOAP-UHFFFAOYSA-N |