1-[(2,5-dimethylphenyl)methyl]-4-{[(3-methoxypropyl)amino]methyl}-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2,5-dimethylphenyl)methyl]-4-{[(3-methoxypropyl)amino]methyl}-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(2,5-dimethylphenyl)methyl]-4-{[(3-methoxypropyl)amino]methyl}-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0808 |
| Compound Name: | 1-[(2,5-dimethylphenyl)methyl]-4-{[(3-methoxypropyl)amino]methyl}-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | Cc1ccc(C)c(Cn2c(C)c(CNCCCOC)c(C(O)=O)c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3262 |
| logD: | 3.3262 |
| logSw: | -3.3135 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.565 |
| InChI Key: | BDPFZIJYBIVPDV-UHFFFAOYSA-N |