4-[4-(2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
4-[4-(2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | L475-0048 |
| Compound Name: | 4-[4-(2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C19 H16 N4 O4 S2 |
| Smiles: | C1CN(CCN1C(c1ccc(C#N)cc1)=O)S(c1ccc2c(c1)SC(N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9498 |
| logD: | 1.9281 |
| logSw: | -2.7981 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.61 |
| InChI Key: | INRQTUDZGGJYFZ-UHFFFAOYSA-N |