N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | G777-0341 |
| Compound Name: | N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 422.59 |
| Molecular Formula: | C25 H30 N2 O2 S |
| Smiles: | Cc1ccc(C)c(CN2CCC(CC2)CNC(c2cccc3C(CCSc23)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8174 |
| logD: | 2.5402 |
| logSw: | -4.5019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.553 |
| InChI Key: | SGOCHHIANNSGIP-UHFFFAOYSA-N |