4-[(benzylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-[(benzylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-[(benzylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-2458 |
| Compound Name: | 4-[(benzylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C23 H26 N2 O3 |
| Smiles: | Cc1c(CNCc2ccccc2)c(C(O)=O)c(C)n1Cc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.668 |
| logD: | 3.668 |
| logSw: | -4.3106 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.654 |
| InChI Key: | MANTUPCBHFFMNQ-UHFFFAOYSA-N |