1-(4-fluorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethan-1-one
1-(4-fluorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 3613-0012 |
| Compound Name: | 1-(4-fluorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 348.37 |
| Molecular Formula: | C15 H9 F N2 O3 S2 |
| Smiles: | C(C(c1ccc(cc1)F)=O)Sc1nc2ccc(cc2s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2483 |
| logD: | 4.2483 |
| logSw: | -4.4695 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.677 |
| InChI Key: | IXTQGMUWWYEUHA-UHFFFAOYSA-N |