3-nitro-N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
3-nitro-N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
3-nitro-N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | V010-3309 |
| Compound Name: | 3-nitro-N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 440.42 |
| Molecular Formula: | C17 H11 F3 N4 O3 S2 |
| Salt: | not_available |
| Smiles: | C(c1ccccc1C(F)(F)F)Sc1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3537 |
| logD: | 4.9547 |
| logSw: | -5.7541 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.345 |
| InChI Key: | LWYKJYZRBKAQSD-UHFFFAOYSA-N |