1-benzyl-4-({[(3-bromophenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-benzyl-4-({[(3-bromophenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-benzyl-4-({[(3-bromophenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C799-0120 |
| Compound Name: | 1-benzyl-4-({[(3-bromophenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 427.34 |
| Molecular Formula: | C22 H23 Br N2 O2 |
| Smiles: | Cc1c(CNCc2cccc(c2)[Br])c(C(O)=O)c(C)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3655 |
| logD: | 4.3655 |
| logSw: | -4.4627 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.11 |
| InChI Key: | QGEUSMMJKIUMOG-UHFFFAOYSA-N |