2-(2-benzyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-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-[(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-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
Compound characteristics
| Compound ID: | SD18-0343 |
| 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-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | Cc1c(CNC(CC2C3=NN(Cc4ccccc4)C(N3CCO2)=O)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0018 |
| logD: | 1.0014 |
| logSw: | -1.8194 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.957 |
| InChI Key: | DENMZZYYIDCBJW-SFHVURJKSA-N |