methyl 5-(3-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(3-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 5-(3-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
Compound ID: | 8006-4100 |
Compound Name: | methyl 5-(3-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
Molecular Weight: | 307.69 |
Molecular Formula: | C13 H10 Cl N3 O4 |
Smiles: | COC(C1C2C(C(N(C2=O)c2cccc(c2)[Cl])=O)NN=1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 0.8445 |
logD: | 0.5086 |
logSw: | -2.3784 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.328 |
InChI Key: | MPOQDJNXYFLADA-UHFFFAOYSA-N |