1-[(2-chloro-4-fluorophenyl)methyl]-4-({[1-(ethoxycarbonyl)piperidin-4-yl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[1-(ethoxycarbonyl)piperidin-4-yl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-4-({[1-(ethoxycarbonyl)piperidin-4-yl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1056 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-4-({[1-(ethoxycarbonyl)piperidin-4-yl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 465.95 |
| Molecular Formula: | C23 H29 Cl F N3 O4 |
| Smiles: | CCOC(N1CCC(CC1)NCc1c(C(O)=O)c(C)n(Cc2ccc(cc2[Cl])F)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8184 |
| logD: | 3.8184 |
| logSw: | -4.1177 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.406 |
| InChI Key: | ZDGXOKGFVISOTN-UHFFFAOYSA-N |