dimethyl 2-({4-[(azepan-1-yl)methyl]piperidine-1-carbonyl}amino)benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-({4-[(azepan-1-yl)methyl]piperidine-1-carbonyl}amino)benzene-1,4-dicarboxylate
dimethyl 2-({4-[(azepan-1-yl)methyl]piperidine-1-carbonyl}amino)benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | G964-0375 |
| Compound Name: | dimethyl 2-({4-[(azepan-1-yl)methyl]piperidine-1-carbonyl}amino)benzene-1,4-dicarboxylate |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C23 H33 N3 O5 |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(N1CCC(CC1)CN1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8326 |
| logD: | 0.7808 |
| logSw: | -3.9433 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.421 |
| InChI Key: | IRZDRNSEJSAJCK-UHFFFAOYSA-N |