N-[3-(prop-2-yn-1-yl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Chemical Structure Depiction of
N-[3-(prop-2-yn-1-yl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
N-[3-(prop-2-yn-1-yl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Compound characteristics
| Compound ID: | G786-0363 |
| Compound Name: | N-[3-(prop-2-yn-1-yl)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C19 H15 N3 O5 S2 |
| Smiles: | C#CCN1/C(=N/C(c2ccc3c(c2)OCCO3)=O)Sc2cc(ccc12)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6429 |
| logD: | 1.6418 |
| logSw: | -2.4932 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.935 |
| InChI Key: | DNVLYSMGVPHLMS-UHFFFAOYSA-N |