4-({[(3-bromophenyl)methyl]amino}methyl)-2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[(3-bromophenyl)methyl]amino}methyl)-2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid
4-({[(3-bromophenyl)methyl]amino}methyl)-2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-2310 |
| Compound Name: | 4-({[(3-bromophenyl)methyl]amino}methyl)-2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 427.34 |
| Molecular Formula: | C22 H23 Br N2 O2 |
| Smiles: | Cc1ccc(cc1)n1c(C)c(CNCc2cccc(c2)[Br])c(C(O)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.6295 |
| logD: | 4.6295 |
| logSw: | -4.485 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.853 |
| InChI Key: | IRGPKUFUSRHPGQ-UHFFFAOYSA-N |