4-({[(3-chlorophenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[(3-chlorophenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
4-({[(3-chlorophenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-0710 |
| Compound Name: | 4-({[(3-chlorophenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 396.92 |
| Molecular Formula: | C23 H25 Cl N2 O2 |
| Smiles: | Cc1ccc(Cn2c(C)c(CNCc3cccc(c3)[Cl])c(C(O)=O)c2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7333 |
| logD: | 4.7333 |
| logSw: | -4.6323 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.11 |
| InChI Key: | AQTRPPQCNYJSRL-UHFFFAOYSA-N |