methyl 3-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
methyl 3-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0083 |
| Compound Name: | methyl 3-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 464.99 |
| Molecular Formula: | C21 H21 Cl N2 O4 S2 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)S(c1c2ccccc2sc1C(=O)OC)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9502 |
| logD: | 4.9502 |
| logSw: | -4.9628 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.829 |
| InChI Key: | BSIBVBPNVVANQP-UHFFFAOYSA-N |