2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1765 |
| Compound Name: | 2,5-dimethyl-1-[(3-methylphenyl)methyl]-4-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C24 H29 N3 O4 S |
| Smiles: | Cc1cccc(Cn2c(C)c(CNCCc3ccc(cc3)S(N)(=O)=O)c(C(O)=O)c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4478 |
| logD: | 2.4478 |
| logSw: | -2.652 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.554 |
| InChI Key: | QYNISEYTYQGSFF-UHFFFAOYSA-N |