2-(3-tert-Butyl-4-hydroxyphenoxy)-N-(4-chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)myristamide

• CAS: 61354-99-2
• Catalog Number: ACM61354992
• Category: Coupler
• Molecular Weight: 778.63
• Molecular Formula: C₃₉H₄₈Cl₄N₄O₄
• Synonyms: 2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]myristamide;1-(2,4,6-trichlorophenyl)-3-{5-[a-(3-tert-butyl-4-hydroxyphenoxy)-n-tetradecan-amido]-2-chloroanilino}-5-pyrazolone;2-(
• IUPAC Name: 2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]tetradecanamide
• Canonical SMILES: CCCCCCCCCCCCC(C(=O)NC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)Cl)Cl)OC4=CC(=C(C=C4)O)C(C)(C)C
• InChI Key: JQADLJKVUIDLRH-UHFFFAOYSA-N
• Density: 1.28 g/cm³
• EC Number: 262-731-3
• Exact Mass: 776.24300
• H-Bond Acceptor: 6
• H-Bond Donor: 3

Custom Q&A

What is the molecular formula of the compound with PubChem CID 135400187?

The molecular formula is C39H48Cl4N4O4.

What is the IUPAC name of the compound?

The IUPAC name is 2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]tetradecanamide.

What is the molecular weight of the compound?

The molecular weight is 778.6 g/mol.

What is the InChIKey of the compound?

The InChIKey is JQADLJKVUIDLRH-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.

What is the exact mass of the compound?

The exact mass is 778.240017 g/mol.

How many rotatable bond counts does the compound have?

The compound has 18 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 103 Ų.

How many heavy atoms are present in the compound?

There are 51 heavy atoms present in the compound.