1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methyl-1-oxidopiperidin-1-ium-4-yl]-3-(4-cyanophenyl)urea
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![1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methyl-1-oxidopiperidin-1-ium-4-yl]-3-(4-cyanophenyl)urea structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5dfdd80acc584c75add3280e455f66b3.png "1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methyl-1-oxidopiperidin-1-ium-4-yl]-3-(4-cyanophenyl)urea")
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methyl-1-oxidopiperidin-1-ium-4-yl]-3-(4-cyanophenyl)urea
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CAS No:
2222533-67-5
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Formula:
C21H22N6O2
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Chemical Name:
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methyl-1-oxidopiperidin-1-ium-4-yl]-3-(4-cyanophenyl)urea
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Synonyms:
Glasdegib N-oxide;Glasdegib metabolite M4;1-((2R,4R)-2-(1H-Benzimidazol-2-yl)-1-methyl-1-oxido-piperidin-1-ium-4-yl)-3-(4-cyanophenyl)urea;2222533-67-5;Urea, N-((2R,4R)-2-(1H-benzimidazol-2-yl)-1-methyl-1-oxido-4-piperidinyl)-N'-(4-cyanophenyl)-
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CAS No:
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methyl-1-oxidopiperidin-1-ium-4-yl]-3-(4-cyanophenyl)urea Basic Attributes
390.4 g/mol
390.18042397 g/mol
Computed Properties
Molecular Weight:390.4
XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:390.18042397
Monoisotopic Mass:390.18042397
Topological Polar Surface Area:112
Heavy Atom Count:29
Complexity:642
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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