3-fluoro-4-{4-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzothiazole-6-sulfonyl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-fluoro-4-{4-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzothiazole-6-sulfonyl]piperazine-1-carbonyl}benzonitrile
3-fluoro-4-{4-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzothiazole-6-sulfonyl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | L475-0922 |
| Compound Name: | 3-fluoro-4-{4-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzothiazole-6-sulfonyl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C22 H21 F N4 O4 S2 |
| Smiles: | CC(C)N1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(c1ccc(C#N)cc1F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5757 |
| logD: | 3.5757 |
| logSw: | -3.9408 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.027 |
| InChI Key: | SMECXSCBOHJCTE-UHFFFAOYSA-N |