N,N-diethyl-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N,N-diethyl-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N,N-diethyl-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6727 |
| Compound Name: | N,N-diethyl-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 295.36 |
| Molecular Formula: | C12 H17 N5 O2 S |
| Smiles: | CCN(CC)C(CSc1nnc2NC(C=C(C)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4141 |
| logD: | 0.398 |
| logSw: | -2.0786 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.373 |
| InChI Key: | SOHIZLZXQRXZTK-UHFFFAOYSA-N |