[(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate

C32H36N4O9 — CID 45269520

IUPAC[(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate
SMILESCOc1ccccc1Cc1cc(-c2ccc(C)cc2)nnc1N/N=C/C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O
InChIInChI=1S/C32H36N4O9/c1-19-11-13-24(14-12-19)27-16-26(15-25-9-7-8-10-28(25)41-6)32(36-34-27)35-33-17-29(43-21(3)38)31(45-23(5)40)30(44-22(4)39)18-42-20(2)37/h7-14,16-17,29-31H,15,18H2,1-6H3,(H,35,36)/b33-17+
InChIKeyVPVAEVLGIVTQRL-ATZGPIRCSA-N
MW620.66 g/mol
LogP3.81
Rot. Bonds14

About [(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate

[(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate (PubChem CID 45269520) has the molecular formula C32H36N4O9 and a molecular weight of 620.66 g/mol. Its IUPAC name is [(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate.

Molecular Properties

Compound Name[(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate
PubChem CID45269520
Molecular FormulaC32H36N4O9
Molecular Weight620.66 g/mol
Exact Mass620.25
IUPAC Name[(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate
SMILESCOc1ccccc1Cc1cc(-c2ccc(C)cc2)nnc1N/N=C/C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O
InChIInChI=1S/C32H36N4O9/c1-19-11-13-24(14-12-19)27-16-26(15-25-9-7-8-10-28(25)41-6)32(36-34-27)35-33-17-29(43-21(3)38)31(45-23(5)40)30(44-22(4)39)18-42-20(2)37/h7-14,16-17,29-31H,15,18H2,1-6H3,(H,35,36)/b33-17+
InChIKeyVPVAEVLGIVTQRL-ATZGPIRCSA-N
XLogP3.81
TPSA164.60 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.66
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate?
The IUPAC name of [(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate (CID 45269520) is [(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate.
What is the SMILES notation for [(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate?
The canonical SMILES for [(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate is COc1ccccc1Cc1cc(-c2ccc(C)cc2)nnc1N/N=C/C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O.
What is the InChIKey of [(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate?
The InChIKey is VPVAEVLGIVTQRL-ATZGPIRCSA-N. The full InChI is InChI=1S/C32H36N4O9/c1-19-11-13-24(14-12-19)27-16-26(15-25-9-7-8-10-28(25)41-6)32(36-34-27)35-33-17-29(43-21(3)38)31(45-23(5)40)30(44-22(4)39)18-42-20(2)37/h7-14,16-17,29-31H,15,18H2,1-6H3,(H,35,36)/b33-17+.
What are the key properties of [(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate?
[(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate has a molecular weight of 620.66 g/mol, XLogP of 3.81, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-2,3,4-triacetyloxy-5-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]pentyl] acetate is sourced from PubChem (CID 45269520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).