methyl 3-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
methyl 3-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0082 |
| Compound Name: | methyl 3-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C22 H24 N2 O4 S2 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)S(c1c2ccccc2sc1C(=O)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.518 |
| logD: | 4.518 |
| logSw: | -4.3373 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.349 |
| InChI Key: | JSLMRIYVNSOUSU-INIZCTEOSA-N |