methyl 1-{2-[(4-methylphenyl)carbamoyl]-1,1-dioxo-1H-1-benzothiophen-3-yl}piperidine-4-carboxylate
Chemical Structure Depiction of
methyl 1-{2-[(4-methylphenyl)carbamoyl]-1,1-dioxo-1H-1-benzothiophen-3-yl}piperidine-4-carboxylate
methyl 1-{2-[(4-methylphenyl)carbamoyl]-1,1-dioxo-1H-1-benzothiophen-3-yl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | J087-0349 |
| Compound Name: | methyl 1-{2-[(4-methylphenyl)carbamoyl]-1,1-dioxo-1H-1-benzothiophen-3-yl}piperidine-4-carboxylate |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C23 H24 N2 O5 S |
| Smiles: | Cc1ccc(cc1)NC(C1=C(c2ccccc2S1(=O)=O)N1CCC(CC1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1242 |
| logD: | 3.1241 |
| logSw: | -3.618 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.141 |
| InChI Key: | QRAQIBPSFDLFMZ-UHFFFAOYSA-N |