N-{2-[(5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{2-[(5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{2-[(5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F518-0239 |
| Compound Name: | N-{2-[(5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C26 H19 N5 O3 S |
| Smiles: | Cc1cc(n2c(n1)nc(c1ccccc1)n2)Sc1ccccc1NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1427 |
| logD: | 5.1426 |
| logSw: | -5.0159 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.046 |
| InChI Key: | LHCCMCDMPBICMJ-UHFFFAOYSA-N |