N-(2,3-dimethylphenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
N-(2,3-dimethylphenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Compound characteristics
| Compound ID: | F952-0047 |
| Compound Name: | N-(2,3-dimethylphenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | Cc1cccc(c1C)NS(c1ccc2c(c1)SC(N2CCC(N1CCCC1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1229 |
| logD: | 4.1203 |
| logSw: | -4.1825 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.5 |
| InChI Key: | ZPLXQYSDTJPIPS-UHFFFAOYSA-N |