methyl 6a-methyl-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 6a-methyl-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 6a-methyl-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8009-3611 |
| Compound Name: | methyl 6a-methyl-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 355.27 |
| Molecular Formula: | C15 H12 F3 N3 O4 |
| Smiles: | CC12C(C(C(=O)OC)=NN2)C(N(C1=O)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7869 |
| logD: | 1.1055 |
| logSw: | -2.178 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.119 |
| InChI Key: | VCENDNXOYISHKH-UHFFFAOYSA-N |