methyl 3-nitro-5-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoate
methyl 3-nitro-5-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | Y032-2469 |
| Compound Name: | methyl 3-nitro-5-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoate |
| Molecular Weight: | 376.27 |
| Molecular Formula: | C12 H7 F3 N4 O5 S |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1nnc(C(F)(F)F)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1524 |
| logD: | -1.6617 |
| logSw: | -3.5173 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.43 |
| InChI Key: | FGHNRZKCFPLHQH-UHFFFAOYSA-N |