2-methylpropyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate
Chemical Structure Depiction of
2-methylpropyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate
2-methylpropyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate
Compound characteristics
| Compound ID: | 1683-6568 |
| Compound Name: | 2-methylpropyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate |
| Molecular Weight: | 272.32 |
| Molecular Formula: | C10 H16 N4 O3 S |
| Smiles: | CC(C)COC(C(C)NC1C(NC(NN=1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.439 |
| logD: | 0.1544 |
| logSw: | -2.3461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.259 |
| InChI Key: | KABRUIQEKSGTTQ-LURJTMIESA-N |