N-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y043-8284 |
| Compound Name: | N-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 338.34 |
| Molecular Formula: | C16 H10 N4 O3 S |
| Smiles: | C1=C(C(Nc2nc(c3ccco3)n[nH]2)=O)SC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3646 |
| logD: | 2.3607 |
| logSw: | -3.0999 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.82 |
| InChI Key: | POIGHTRSWNBOPG-UHFFFAOYSA-N |