methyl 5-(4-ethylphenyl)-1-(2-methyl-4-oxopentan-2-yl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(4-ethylphenyl)-1-(2-methyl-4-oxopentan-2-yl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 5-(4-ethylphenyl)-1-(2-methyl-4-oxopentan-2-yl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8017-1931 |
| Compound Name: | methyl 5-(4-ethylphenyl)-1-(2-methyl-4-oxopentan-2-yl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C21 H25 N3 O5 |
| Smiles: | CCc1ccc(cc1)N1C(C2C(C1=O)N(C(C)(C)CC(C)=O)N=C2C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9153 |
| logD: | 1.8924 |
| logSw: | -2.218 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.78 |
| InChI Key: | JMZOTPWGACIOHV-UHFFFAOYSA-N |