2-{2-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-{2-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-{2-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0230 |
| Compound Name: | 2-{2-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C24 H33 N3 O3 |
| Smiles: | Cc1ccc(C)c(CN2CCC(CC2)CNC(Cc2c(C(O)=O)c(C)cn2C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2944 |
| logD: | 3.2944 |
| logSw: | -3.0324 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.146 |
| InChI Key: | QUXQTSIKTKEBAL-UHFFFAOYSA-N |