methyl 1-[1,1-dioxo-2-(phenylcarbamoyl)-1H-1-benzothiophen-3-yl]piperidine-4-carboxylate
Chemical Structure Depiction of
methyl 1-[1,1-dioxo-2-(phenylcarbamoyl)-1H-1-benzothiophen-3-yl]piperidine-4-carboxylate
methyl 1-[1,1-dioxo-2-(phenylcarbamoyl)-1H-1-benzothiophen-3-yl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | J087-0169 |
| Compound Name: | methyl 1-[1,1-dioxo-2-(phenylcarbamoyl)-1H-1-benzothiophen-3-yl]piperidine-4-carboxylate |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C22 H22 N2 O5 S |
| Smiles: | COC(C1CCN(CC1)C1=C(C(Nc2ccccc2)=O)S(c2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.509 |
| logD: | 2.509 |
| logSw: | -3.0967 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.141 |
| InChI Key: | KVOLPKJOVABECJ-UHFFFAOYSA-N |