2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid

C26H26Cl2N4O3S — CID 25123246

IUPAC2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid
SMILESCN1CCN(C(C(=O)NNc2cc(Cl)cc(Cl)c2)c2ccc3sc4ccccc4c3c2)CC1.O=CO
InChIInChI=1S/C25H24Cl2N4OS.CH2O2/c1-30-8-10-31(11-9-30)24(25(32)29-28-19-14-17(26)13-18(27)15-19)16-6-7-23-21(12-16)20-4-2-3-5-22(20)33-23;2-1-3/h2-7,12-15,24,28H,8-11H2,1H3,(H,29,32);1H,(H,2,3)
InChIKeyVBMVXETVASMJDR-UHFFFAOYSA-N
MW545.49 g/mol
LogP5.49
Rot. Bonds5

About 2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid

2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid (PubChem CID 25123246) has the molecular formula C26H26Cl2N4O3S and a molecular weight of 545.49 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid
PubChem CID25123246
Molecular FormulaC26H26Cl2N4O3S
Molecular Weight545.49 g/mol
Exact Mass544.11
IUPAC Name2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid
SMILESCN1CCN(C(C(=O)NNc2cc(Cl)cc(Cl)c2)c2ccc3sc4ccccc4c3c2)CC1.O=CO
InChIInChI=1S/C25H24Cl2N4OS.CH2O2/c1-30-8-10-31(11-9-30)24(25(32)29-28-19-14-17(26)13-18(27)15-19)16-6-7-23-21(12-16)20-4-2-3-5-22(20)33-23;2-1-3/h2-7,12-15,24,28H,8-11H2,1H3,(H,29,32);1H,(H,2,3)
InChIKeyVBMVXETVASMJDR-UHFFFAOYSA-N
XLogP5.49
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.49
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid 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 2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid?
The IUPAC name of 2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid (CID 25123246) is 2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid.
What is the SMILES notation for 2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid?
The canonical SMILES for 2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid is CN1CCN(C(C(=O)NNc2cc(Cl)cc(Cl)c2)c2ccc3sc4ccccc4c3c2)CC1.O=CO.
What is the InChIKey of 2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid?
The InChIKey is VBMVXETVASMJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4OS.CH2O2/c1-30-8-10-31(11-9-30)24(25(32)29-28-19-14-17(26)13-18(27)15-19)16-6-7-23-21(12-16)20-4-2-3-5-22(20)33-23;2-1-3/h2-7,12-15,24,28H,8-11H2,1H3,(H,29,32);1H,(H,2,3).
What are the key properties of 2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid?
2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid has a molecular weight of 545.49 g/mol, XLogP of 5.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid is sourced from PubChem (CID 25123246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).