methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
Compound ID: | 8007-8881 |
Compound Name: | methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
Molecular Weight: | 321.72 |
Molecular Formula: | C14 H12 Cl N3 O4 |
Smiles: | Cc1c(cccc1[Cl])N1C(C2C(C1=O)NN=C2C(=O)OC)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.3139 |
logD: | 0.978 |
logSw: | -2.3085 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.028 |
InChI Key: | SHYZHEQLCKMYAP-UHFFFAOYSA-N |