N-{3-[benzyl(methyl)amino]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)amino]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-{3-[benzyl(methyl)amino]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | G777-0087 |
| Compound Name: | N-{3-[benzyl(methyl)amino]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C21 H24 N2 O2 S |
| Smiles: | CN(CCCNC(c1cccc2C(CCSc12)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8857 |
| logD: | 1.4446 |
| logSw: | -3.7063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.756 |
| InChI Key: | JIFIQEPCVVKFSG-UHFFFAOYSA-N |