ethyl 1-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-4-nitrophenyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-4-nitrophenyl)piperidine-4-carboxylate
ethyl 1-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-4-nitrophenyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | 8009-9272 |
| Compound Name: | ethyl 1-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-4-nitrophenyl)piperidine-4-carboxylate |
| Molecular Weight: | 529.61 |
| Molecular Formula: | C26 H31 N3 O7 S |
| Smiles: | CCOC(C1CCN(CC1)c1ccc(cc1C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9616 |
| logD: | -0.099 |
| logSw: | -4.7461 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.085 |
| InChI Key: | FWYMCUUVYALZOD-UHFFFAOYSA-N |