4-({[(3-chlorophenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[(3-chlorophenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
4-({[(3-chlorophenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-2051 |
| Compound Name: | 4-({[(3-chlorophenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 424.97 |
| Molecular Formula: | C25 H29 Cl N2 O2 |
| Smiles: | Cc1cc(C)c(Cn2c(C)c(CNCc3cccc(c3)[Cl])c(C(O)=O)c2C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8651 |
| logD: | 5.8651 |
| logSw: | -5.6734 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.11 |
| InChI Key: | SGXWGSZNUKXNLR-UHFFFAOYSA-N |