diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate

C22H24N2O4 — CID 2755637

IUPACdiethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate
SMILESCCOC(=O)N1C(c2ccccc2)C=C[C@H](c2ccccc2)N1C(=O)OCC
InChIInChI=1S/C22H24N2O4/c1-3-27-21(25)23-19(17-11-7-5-8-12-17)15-16-20(18-13-9-6-10-14-18)24(23)22(26)28-4-2/h5-16,19-20H,3-4H2,1-2H3/t19-,20?/m1/s1
InChIKeyDNDWOOYOJNPXEM-FIWHBWSRSA-N
MW380.44 g/mol
LogP4.87
Rot. Bonds4

About diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate

diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate (PubChem CID 2755637) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate
PubChem CID2755637
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namediethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate
SMILESCCOC(=O)N1C(c2ccccc2)C=C[C@H](c2ccccc2)N1C(=O)OCC
InChIInChI=1S/C22H24N2O4/c1-3-27-21(25)23-19(17-11-7-5-8-12-17)15-16-20(18-13-9-6-10-14-18)24(23)22(26)28-4-2/h5-16,19-20H,3-4H2,1-2H3/t19-,20?/m1/s1
InChIKeyDNDWOOYOJNPXEM-FIWHBWSRSA-N
XLogP4.87
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate
CID 102317060
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CID 12791774
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
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ethyl 3-formyl-4-phenyl-4H-pyridine-1-carboxylate
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diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 16738818
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CID 178132588

Frequently Asked Questions

What is the IUPAC name of diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate?
The IUPAC name of diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate (CID 2755637) is diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate.
What is the SMILES notation for diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate?
The canonical SMILES for diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate is CCOC(=O)N1C(c2ccccc2)C=C[C@H](c2ccccc2)N1C(=O)OCC.
What is the InChIKey of diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate?
The InChIKey is DNDWOOYOJNPXEM-FIWHBWSRSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-27-21(25)23-19(17-11-7-5-8-12-17)15-16-20(18-13-9-6-10-14-18)24(23)22(26)28-4-2/h5-16,19-20H,3-4H2,1-2H3/t19-,20?/m1/s1.
What are the key properties of diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate?
diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate has a molecular weight of 380.44 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate is sourced from PubChem (CID 2755637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).