N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G786-1627 |
| Compound Name: | N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C19 H17 N3 O5 S2 |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)sc(NC(c1ccc3c(c1)OCO3)=O)n2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6926 |
| logD: | 3.6919 |
| logSw: | -4.0436 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.283 |
| InChI Key: | VYDPFHGTRUCWOB-UHFFFAOYSA-N |