1-oxo-N-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
1-oxo-N-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1H-2-benzothiopyran-3-carboxamide
1-oxo-N-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y043-8264 |
| Compound Name: | 1-oxo-N-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 336.37 |
| Molecular Formula: | C17 H12 N4 O2 S |
| Smiles: | C(c1nnc2ccccn12)NC(C1=Cc2ccccc2C(=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5916 |
| logD: | 1.5916 |
| logSw: | -2.4334 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.231 |
| InChI Key: | MQXWRZHKZCCNHS-UHFFFAOYSA-N |