4-[4-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
4-[4-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | L475-0346 |
| Compound Name: | 4-[4-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C21 H20 N4 O4 S2 |
| Smiles: | CCN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(c1ccc(C#N)cc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6253 |
| logD: | 2.6253 |
| logSw: | -3.0212 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.031 |
| InChI Key: | SWXPVJJQNXXNIG-UHFFFAOYSA-N |