3-fluoro-N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
Chemical Structure Depiction of
3-fluoro-N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
3-fluoro-N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
Compound characteristics
| Compound ID: | D336-1188 |
| Compound Name: | 3-fluoro-N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C23 H18 F N3 O2 S2 |
| Smiles: | CN(C(CSc1nc2ccc(cc2s1)NC(c1cccc(c1)F)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.704 |
| logD: | 4.6993 |
| logSw: | -4.4454 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.253 |
| InChI Key: | OJJVOYQMFVDWSA-UHFFFAOYSA-N |