[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | 0272-0165 |
| Compound Name: | [(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid |
| Molecular Weight: | 260.27 |
| Molecular Formula: | C11 H8 N4 O2 S |
| Smiles: | C(C(O)=O)Sc1nc2c(c3ccccc3[nH]2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.7888 |
| logD: | -2.5037 |
| logSw: | -2.1474 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.19 |
| InChI Key: | FOTWYBLOBBPUIH-UHFFFAOYSA-N |