3-nitro-N-[5-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
3-nitro-N-[5-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
3-nitro-N-[5-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
Compound ID: | V028-1934 |
Compound Name: | 3-nitro-N-[5-({2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide |
Molecular Weight: | 468.43 |
Molecular Formula: | C18 H11 F3 N4 O4 S2 |
Salt: | not_available |
Smiles: | C(C(c1cccc(c1)C(F)(F)F)=O)Sc1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
Stereo: | ACHIRAL |
logP: | 4.9991 |
logD: | 4.6001 |
logSw: | -5.0348 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 92.592 |
InChI Key: | XRMDGDKJLIRZAQ-UHFFFAOYSA-N |