4-({[1-(ethoxycarbonyl)piperidin-4-yl]amino}methyl)-2,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[1-(ethoxycarbonyl)piperidin-4-yl]amino}methyl)-2,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
4-({[1-(ethoxycarbonyl)piperidin-4-yl]amino}methyl)-2,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-0481 |
| Compound Name: | 4-({[1-(ethoxycarbonyl)piperidin-4-yl]amino}methyl)-2,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C24 H33 N3 O4 |
| Smiles: | CCOC(N1CCC(CC1)NCc1c(C(O)=O)c(C)n(Cc2ccccc2C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7123 |
| logD: | 3.7123 |
| logSw: | -4.1171 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.406 |
| InChI Key: | XJGUKOBDQKQDTG-UHFFFAOYSA-N |