8-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
8-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-4H-1-benzothiopyran-4-one
8-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G777-0144 |
| Compound Name: | 8-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C22 H24 N2 O2 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1cccc2C(CCSc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7685 |
| logD: | 3.7685 |
| logSw: | -3.9286 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.534 |
| InChI Key: | HKIXQXISVGSLTI-INIZCTEOSA-N |