3-fluoro-4-[4-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-fluoro-4-[4-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
3-fluoro-4-[4-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | L475-0753 |
| Compound Name: | 3-fluoro-4-[4-(2-oxo-3-propyl-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: | CCCN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)C(c1ccc(C#N)cc1F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6378 |
| logD: | 3.6378 |
| logSw: | -3.9583 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.285 |
| InChI Key: | HFDZOIDOKWFGGI-UHFFFAOYSA-N |