N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-3,4-difluorobenzamide
Chemical Structure Depiction of
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-3,4-difluorobenzamide
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-3,4-difluorobenzamide
Compound characteristics
| Compound ID: | 8004-3076 |
| Compound Name: | N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl}-3,4-difluorobenzamide |
| Molecular Weight: | 443.45 |
| Molecular Formula: | C20 H11 F2 N3 O3 S2 |
| Smiles: | c1ccc2c(c1)nc(Sc1cc(cc(c1)[N+]([O-])=O)NC(c1ccc(c(c1)F)F)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.1981 |
| logD: | 5.9389 |
| logSw: | -6.1418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.521 |
| InChI Key: | GDQVGRDKOJRSLW-UHFFFAOYSA-N |