N-{6-[(2H-1,3-benzodioxol-5-yl)carbamamido]-1,3-benzothiazol-2-yl}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{6-[(2H-1,3-benzodioxol-5-yl)carbamamido]-1,3-benzothiazol-2-yl}-4-methylbenzene-1-sulfonamide
N-{6-[(2H-1,3-benzodioxol-5-yl)carbamamido]-1,3-benzothiazol-2-yl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L366-0335 |
| Compound Name: | N-{6-[(2H-1,3-benzodioxol-5-yl)carbamamido]-1,3-benzothiazol-2-yl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C22 H18 N4 O5 S2 |
| Smiles: | [H]c1cc(cc2c1nc(NS(c1ccc(C)cc1)(=O)=O)s2)NC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4442 |
| logD: | 5.0432 |
| logSw: | -5.3979 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.068 |
| InChI Key: | DNPBYTURPIVYEO-UHFFFAOYSA-N |