N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2437 |
| Compound Name: | N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 286.31 |
| Molecular Formula: | C14 H10 N2 O3 S |
| Smiles: | Cc1cc(NC(C2=Cc3ccccc3C(=O)S2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.149 |
| logD: | 3.0518 |
| logSw: | -3.6743 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.118 |
| InChI Key: | HQDQPHGBQIPTCG-UHFFFAOYSA-N |