3-[3-chloro-4-(pyrrolidin-1-yl)anilino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-[3-chloro-4-(pyrrolidin-1-yl)anilino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-[3-chloro-4-(pyrrolidin-1-yl)anilino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 7641-0012 |
| Compound Name: | 3-[3-chloro-4-(pyrrolidin-1-yl)anilino]-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 361.85 |
| Molecular Formula: | C17 H16 Cl N3 O2 S |
| Smiles: | C1CCN(C1)c1ccc(cc1[Cl])NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6688 |
| logD: | 3.333 |
| logSw: | -4.1474 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.362 |
| InChI Key: | AUUSZDXKYMBPPN-UHFFFAOYSA-N |