N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | G777-0169 |
| Compound Name: | N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C24 H28 N2 O2 S |
| Smiles: | Cc1cccc(CN2CCC(CC2)CNC(c2cccc3C(CCSc23)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2639 |
| logD: | 1.7716 |
| logSw: | -4.2782 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.553 |
| InChI Key: | LXBVXNUTZRPXGM-UHFFFAOYSA-N |