N-(4-cyanophenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
N-(4-cyanophenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Compound characteristics
| Compound ID: | F952-0128 |
| Compound Name: | N-(4-cyanophenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C21 H20 N4 O4 S2 |
| Smiles: | C1CCN(C1)C(CCN1C(=O)Sc2cc(ccc12)S(Nc1ccc(C#N)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0023 |
| logD: | 2.7211 |
| logSw: | -3.7385 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.254 |
| InChI Key: | ZZHHKWKKXLLGEN-UHFFFAOYSA-N |