[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
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![[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cdfc3c179bab4bd88bdf765bff5686cb.png "[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate")
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
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CAS No:
731827-98-8
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Formula:
C23H22N4O5
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Chemical Name:
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
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Synonyms:
MLS002252249;CHEMBL1574224;HMS3090J04;ZINC3297059;AKOS033484035;MCULE-5384380276;SMR001314597;Z16297394;[(2-cyanoethyl)(3,5-dimethylphenyl)carbamoyl]methyl 2-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-2-yl)acetate;731827-98-8
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CAS No:
[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Basic Attributes
434.4 g/mol
434.15901982 g/mol
Computed Properties
Molecular Weight:434.4
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:434.15901982
Monoisotopic Mass:434.15901982
Topological Polar Surface Area:120
Heavy Atom Count:32
Complexity:781
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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