2-(2-benzyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
Chemical Structure Depiction of
2-(2-benzyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
2-(2-benzyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
Compound characteristics
Compound ID: | SD18-0329 |
Compound Name: | 2-(2-benzyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide |
Molecular Weight: | 424.5 |
Molecular Formula: | C22 H28 N6 O3 |
Smiles: | Cc1c(CN(C)C(CC2C3=NN(Cc4ccccc4)C(N3CCO2)=O)=O)c(C)n(C)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 1.2413 |
logD: | 1.2402 |
logSw: | -1.6003 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 71.38 |
InChI Key: | MATHIVYQFYDCFV-IBGZPJMESA-N |