2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0131 |
| Compound Name: | 2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[(thiophen-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C21 H24 N2 O2 S |
| Smiles: | Cc1cccc(Cn2c(C)c(CNCc3cccs3)c(C(O)=O)c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0108 |
| logD: | 4.0108 |
| logSw: | -4.1897 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.128 |
| InChI Key: | XHKVIHDZZRVTRI-UHFFFAOYSA-N |