ethyl 1-{1-[4-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-3-sulfonyl]piperidine-4-carbonyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{1-[4-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-3-sulfonyl]piperidine-4-carbonyl}piperidine-4-carboxylate
ethyl 1-{1-[4-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-3-sulfonyl]piperidine-4-carbonyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | G070-0052 |
| Compound Name: | ethyl 1-{1-[4-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrole-3-sulfonyl]piperidine-4-carbonyl}piperidine-4-carboxylate |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C23 H35 N3 O7 S |
| Smiles: | CCOC(C1CCN(CC1)C(C1CCN(CC1)S(c1c(C(=O)OCC)c(C)[nH]c1C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7957 |
| logD: | 1.7957 |
| logSw: | -2.4167 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.893 |
| InChI Key: | NAKQSCXEZVHQAO-UHFFFAOYSA-N |