dimethyl 2-({1-[(4-fluorophenyl)methanesulfonyl]piperidine-4-carbonyl}amino)benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-({1-[(4-fluorophenyl)methanesulfonyl]piperidine-4-carbonyl}amino)benzene-1,4-dicarboxylate
dimethyl 2-({1-[(4-fluorophenyl)methanesulfonyl]piperidine-4-carbonyl}amino)benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | D356-2087 |
| Compound Name: | dimethyl 2-({1-[(4-fluorophenyl)methanesulfonyl]piperidine-4-carbonyl}amino)benzene-1,4-dicarboxylate |
| Molecular Weight: | 492.52 |
| Molecular Formula: | C23 H25 F N2 O7 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(C1CCN(CC1)S(Cc1ccc(cc1)F)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4881 |
| logD: | 2.2741 |
| logSw: | -3.0301 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.585 |
| InChI Key: | JAKLOPCRYAADMS-UHFFFAOYSA-N |