1-(8-bromo-4a-hydroxy-3-sulfanylidene-2,3,4,4a-tetrahydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)ethan-1-one
Chemical Structure Depiction of
1-(8-bromo-4a-hydroxy-3-sulfanylidene-2,3,4,4a-tetrahydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)ethan-1-one
1-(8-bromo-4a-hydroxy-3-sulfanylidene-2,3,4,4a-tetrahydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8009-6419 |
| Compound Name: | 1-(8-bromo-4a-hydroxy-3-sulfanylidene-2,3,4,4a-tetrahydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)ethan-1-one |
| Molecular Weight: | 341.18 |
| Molecular Formula: | C11 H9 Br N4 O2 S |
| Smiles: | CC(N1c2ccc(cc2C2C1(NC(NN=2)=S)O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6999 |
| logD: | 1.6999 |
| logSw: | -2.5975 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.263 |
| InChI Key: | WCJGFZBRXJKAAD-NSHDSACASA-N |