5-[3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)propanamido]benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-[3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)propanamido]benzene-1,3-dicarboxylic acid
5-[3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)propanamido]benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | C361-1881 |
| Compound Name: | 5-[3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)propanamido]benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 460.46 |
| Molecular Formula: | C21 H20 N2 O8 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(CCC(Nc1cc(cc(c1)C(O)=O)C(O)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8331 |
| logD: | -1.5303 |
| logSw: | -2.47 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.387 |
| InChI Key: | DLJUXXFWKMFGMK-UHFFFAOYSA-N |