N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Compound characteristics
| Compound ID: | F952-0075 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C22 H23 N3 O6 S2 |
| Smiles: | C1CCN(C1)C(CCN1C(=O)Sc2cc(ccc12)S(NCc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.189 |
| logD: | 3.1889 |
| logSw: | -3.63 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.422 |
| InChI Key: | CTIUKRCCGMAHHD-UHFFFAOYSA-N |