CAS
957825-89-7 Purity
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957825-89-7 Purity
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3-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-5-acetamide
CAS
957881-03-7
Catalog Number
ACM957881037
Category
Other Products
Molecular Weight
587.54
Molecular Formula
C26H31FN7O6P
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Specification
Synonyms
3-[[7-[3-[Ethyl[2-(phosphonooxy)ethyl]amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-5-acetamide;
Density
1.463
Appearance
N/A
What is the molecular formula of the compound with PubChem CID 72984710?
The molecular formula is C26H35FN7O6P.
When was the compound created in PubChem?
The compound was created on March 6, 2014.
What is the IUPAC Name of the compound?
The IUPAC Name is 2-[ethyl-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]pyrazolidin-3-yl]amino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate.
What is the InChIKey of the compound?
The InChIKey is NNQFTVMPESCIOQ-UHFFFAOYSA-N.
What is the Exact Mass of the compound?
The Exact Mass is 591.23704702 g/mol.
How many Hydrogen Bond Donor Counts does the compound have?
The compound has 6 Hydrogen Bond Donor Counts.
What is the Topological Polar Surface Area of the compound?
The Topological Polar Surface Area is 170 Ų.
How many Rotatable Bond Counts does the compound have?
The compound has 15 Rotatable Bond Counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is -0.9.
Is the Compound Canonicalized according to PubChem?
Yes, the compound is canonicalized in PubChem.
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