1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine

C43H52Cl2N6O2S — CID 68938565

IUPAC1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine
SMILESCSc1ccc(Oc2ccc(N3CCN(C4CC4)CC3)cc2CN(C)N(C)Cc2cc(N3CCN(C4CC4)CC3)ccc2Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C43H52Cl2N6O2S/c1-46(29-31-26-35(50-22-18-48(19-23-50)33-4-5-33)8-16-42(31)52-37-10-13-39(54-3)14-11-37)47(2)30-32-27-36(51-24-20-49(21-25-51)34-6-7-34)9-17-43(32)53-38-12-15-40(44)41(45)28-38/h8-17,26-28,33-34H,4-7,18-25,29-30H2,1-3H3
InChIKeyLRIKQHVPRWDZHP-UHFFFAOYSA-N
MW787.90 g/mol
LogP9.35
Rot. Bonds14

About 1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine

1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine (PubChem CID 68938565) has the molecular formula C43H52Cl2N6O2S and a molecular weight of 787.90 g/mol. Its IUPAC name is 1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine.

Molecular Properties

Compound Name1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine
PubChem CID68938565
Molecular FormulaC43H52Cl2N6O2S
Molecular Weight787.90 g/mol
Exact Mass786.32
IUPAC Name1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine
SMILESCSc1ccc(Oc2ccc(N3CCN(C4CC4)CC3)cc2CN(C)N(C)Cc2cc(N3CCN(C4CC4)CC3)ccc2Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C43H52Cl2N6O2S/c1-46(29-31-26-35(50-22-18-48(19-23-50)33-4-5-33)8-16-42(31)52-37-10-13-39(54-3)14-11-37)47(2)30-32-27-36(51-24-20-49(21-25-51)34-6-7-34)9-17-43(32)53-38-12-15-40(44)41(45)28-38/h8-17,26-28,33-34H,4-7,18-25,29-30H2,1-3H3
InChIKeyLRIKQHVPRWDZHP-UHFFFAOYSA-N
XLogP9.35
TPSA37.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.90
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine?
The IUPAC name of 1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine (CID 68938565) is 1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine.
What is the SMILES notation for 1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine?
The canonical SMILES for 1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine is CSc1ccc(Oc2ccc(N3CCN(C4CC4)CC3)cc2CN(C)N(C)Cc2cc(N3CCN(C4CC4)CC3)ccc2Oc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine?
The InChIKey is LRIKQHVPRWDZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52Cl2N6O2S/c1-46(29-31-26-35(50-22-18-48(19-23-50)33-4-5-33)8-16-42(31)52-37-10-13-39(54-3)14-11-37)47(2)30-32-27-36(51-24-20-49(21-25-51)34-6-7-34)9-17-43(32)53-38-12-15-40(44)41(45)28-38/h8-17,26-28,33-34H,4-7,18-25,29-30H2,1-3H3.
What are the key properties of 1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine?
1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine has a molecular weight of 787.90 g/mol, XLogP of 9.35, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenoxy)phenyl]methyl]-2-[[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]methyl]-1,2-dimethylhydrazine is sourced from PubChem (CID 68938565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).