N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-3-fluorobenzamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-3-fluorobenzamide
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-3-fluorobenzamide
Compound characteristics
| Compound ID: | D336-5022 |
| Compound Name: | N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-3-fluorobenzamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H15 F N2 O S2 |
| Smiles: | C(c1ccccc1)Sc1nc2ccc(cc2s1)NC(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5869 |
| logD: | 5.5821 |
| logSw: | -5.8431 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.139 |
| InChI Key: | IGPAXPDDOFQVOW-UHFFFAOYSA-N |