N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | G777-0327 |
| Compound Name: | N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C23 H26 N2 O2 S |
| Smiles: | Cc1ccc(CN2CCC(CNC(c3cccc4C(CCSc34)=O)=O)C2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3728 |
| logD: | -0.3573 |
| logSw: | -3.7921 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.852 |
| InChI Key: | YTGAYIXZTWUWCT-GOSISDBHSA-N |