1-(4a-hydroxy-8-methyl-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-(4a-hydroxy-8-methyl-3-sulfanylidene-2,3,4,4a-tetrahydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)ethan-1-one
1-(4a-hydroxy-8-methyl-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: | 4634-0191 |
| Compound Name: | 1-(4a-hydroxy-8-methyl-3-sulfanylidene-2,3,4,4a-tetrahydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)ethan-1-one |
| Molecular Weight: | 276.31 |
| Molecular Formula: | C12 H12 N4 O2 S |
| Smiles: | CC(N1c2ccc(C)cc2C2C1(NC(NN=2)=S)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.229 |
| logD: | 1.229 |
| logSw: | -2.3222 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.263 |
| InChI Key: | ZDFUSYVTOLHSBM-LBPRGKRZSA-N |