[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid
Chemical Structure Depiction of
[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid
[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid
Compound characteristics
| Compound ID: | 4237-0413 |
| Compound Name: | [1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]acetic acid |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C18 H17 N O2 S |
| Smiles: | CSc1c2ccccc2n(Cc2ccccc2)c1CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8279 |
| logD: | -0.1606 |
| logSw: | -3.8682 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.3331 |
| InChI Key: | ZNRFHFNEYSLUQB-UHFFFAOYSA-N |