benzyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate
Chemical Structure Depiction of
benzyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate
benzyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate
Compound characteristics
| Compound ID: | 1682-3418 |
| Compound Name: | benzyl N-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | CC(C(=O)OCc1ccccc1)NC1C(NC(NN=1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6567 |
| logD: | 0.3721 |
| logSw: | -2.27 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.988 |
| InChI Key: | LDLKUNXNYVANLX-QMMMGPOBSA-N |