2-(benzylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
2-(benzylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | D718-0410 |
| Compound Name: | 2-(benzylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 437.48 |
| Molecular Formula: | C21 H19 N5 O4 S |
| Smiles: | C1C(C(Nc2ccc3c(c2)OCCO3)=O)n2c(NC1=O)nc(n2)SCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4584 |
| logD: | 1.4582 |
| logSw: | -2.3645 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.947 |
| InChI Key: | CUIYHEOYGPFANR-HNNXBMFYSA-N |