[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | 6623-1392 |
| Compound Name: | [(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid |
| Molecular Weight: | 350.4 |
| Molecular Formula: | C18 H14 N4 O2 S |
| Smiles: | C(c1ccccc1)n1c2ccccc2c2c1nc(nn2)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9653 |
| logD: | -0.3272 |
| logSw: | -3.1141 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.362 |
| InChI Key: | LYFWQYDKDTVARC-UHFFFAOYSA-N |