methyl 5-ethyl-2-{[1-(4-nitrophenyl)piperidine-4-carbonyl]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-ethyl-2-{[1-(4-nitrophenyl)piperidine-4-carbonyl]amino}thiophene-3-carboxylate
methyl 5-ethyl-2-{[1-(4-nitrophenyl)piperidine-4-carbonyl]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-1886 |
| Compound Name: | methyl 5-ethyl-2-{[1-(4-nitrophenyl)piperidine-4-carbonyl]amino}thiophene-3-carboxylate |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | CCc1cc(C(=O)OC)c(NC(C2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9312 |
| logD: | 2.2091 |
| logSw: | -3.8236 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.132 |
| InChI Key: | YXYHOLRKLPIESB-UHFFFAOYSA-N |