{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid
{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 3698-0088 |
| Compound Name: | {[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C19 H16 N4 O2 S |
| Smiles: | C(Cn1c2ccccc2c2c1nc(nn2)SCC(O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1148 |
| logD: | -0.1778 |
| logSw: | -3.1566 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.341 |
| InChI Key: | JLJFTUVZXOAPAZ-UHFFFAOYSA-N |