1,4-dimethyl-2-{2-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1,4-dimethyl-2-{2-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
1,4-dimethyl-2-{2-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0218 |
| Compound Name: | 1,4-dimethyl-2-{2-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)amino]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C23 H31 N3 O3 |
| Smiles: | Cc1ccc(CN2CCC(CC2)CNC(Cc2c(C(O)=O)c(C)cn2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5177 |
| logD: | 2.5177 |
| logSw: | -2.4367 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.146 |
| InChI Key: | HHZHEUWVLARFRB-UHFFFAOYSA-N |