1-[(2-methylphenyl)methyl]-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2-methylphenyl)methyl]-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
1-[(2-methylphenyl)methyl]-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E693-0445 |
| Compound Name: | 1-[(2-methylphenyl)methyl]-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | Cc1ccccc1Cn1c(C(O)=O)c(CNCCc2ccc(cc2)S(N)(=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.14 |
| logD: | 3.14 |
| logSw: | -3.281 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.087 |
| InChI Key: | QBRFSYNGWLOMBV-UHFFFAOYSA-N |