ethyl [(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
ethyl [(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 0272-0081 |
| Compound Name: | ethyl [(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 288.33 |
| Molecular Formula: | C13 H12 N4 O2 S |
| Smiles: | CCOC(CSc1nc2c(c3ccccc3[nH]2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9105 |
| logD: | 1.9105 |
| logSw: | -2.4855 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.965 |
| InChI Key: | NLQBFKRQKBPLLA-UHFFFAOYSA-N |