methyl 1-acetyl-5-(3,5-dichlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-acetyl-5-(3,5-dichlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 1-acetyl-5-(3,5-dichlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8016-3327 |
| Compound Name: | methyl 1-acetyl-5-(3,5-dichlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 384.17 |
| Molecular Formula: | C15 H11 Cl2 N3 O5 |
| Smiles: | CC(N1C2C(C(C(=O)OC)=N1)C(N(C2=O)c1cc(cc(c1)[Cl])[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3593 |
| logD: | 1.3508 |
| logSw: | -2.2758 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.828 |
| InChI Key: | NPWCAAKFKCZKAM-UHFFFAOYSA-N |