N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-3-fluorobenzamide
Chemical Structure Depiction of
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-3-fluorobenzamide
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-3-fluorobenzamide
Compound characteristics
| Compound ID: | Y500-0009 |
| Compound Name: | N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-3-fluorobenzamide |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C20 H12 F N3 O3 S2 |
| Smiles: | c1ccc2c(c1)nc(Sc1cc(cc(c1)[N+]([O-])=O)NC(c1cccc(c1)F)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.9445 |
| logD: | 5.9055 |
| logSw: | -6.0525 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.521 |
| InChI Key: | PEEPWHYNFRUXMH-UHFFFAOYSA-N |