1-[(3-chlorophenyl)methyl]-4-({[1-(ethoxycarbonyl)piperidin-4-yl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-4-({[1-(ethoxycarbonyl)piperidin-4-yl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(3-chlorophenyl)methyl]-4-({[1-(ethoxycarbonyl)piperidin-4-yl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1474 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-4-({[1-(ethoxycarbonyl)piperidin-4-yl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 447.96 |
| Molecular Formula: | C23 H30 Cl N3 O4 |
| Smiles: | CCOC(N1CCC(CC1)NCc1c(C(O)=O)c(C)n(Cc2cccc(c2)[Cl])c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6114 |
| logD: | 3.6114 |
| logSw: | -4.063 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.406 |
| InChI Key: | CZCYOVUPXZOSOK-UHFFFAOYSA-N |