1-ethyl-4-methyl-2-(2-{[(3-methylphenyl)methyl]amino}-2-oxoethyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-4-methyl-2-(2-{[(3-methylphenyl)methyl]amino}-2-oxoethyl)-1H-pyrrole-3-carboxylic acid
1-ethyl-4-methyl-2-(2-{[(3-methylphenyl)methyl]amino}-2-oxoethyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C066-5621 |
| Compound Name: | 1-ethyl-4-methyl-2-(2-{[(3-methylphenyl)methyl]amino}-2-oxoethyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C18 H22 N2 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(NCc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5688 |
| logD: | 0.7696 |
| logSw: | -2.2094 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.582 |
| InChI Key: | WGVCSGPWVFLFQS-UHFFFAOYSA-N |