4,4-difluoro-N-[(1S)-1-(4-hydroxyphenyl)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide
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![4,4-difluoro-N-[(1S)-1-(4-hydroxyphenyl)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ccf0bddeae2e41b28c7ff32dbfefa6f7.png "4,4-difluoro-N-[(1S)-1-(4-hydroxyphenyl)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide")
4,4-difluoro-N-[(1S)-1-(4-hydroxyphenyl)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide
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CAS No:
856708-54-8
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Formula:
C29H41F2N5O2
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Chemical Name:
4,4-difluoro-N-[(1S)-1-(4-hydroxyphenyl)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide
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Synonyms:
4,4-Difluoro-N-[(1S)-1-(4-hydroxyphenyl)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]propyl]-cyclohexanecarboxamide; 4-Hydroxyphenyl Maraviroc;
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CAS No:
4,4-difluoro-N-[(1S)-1-(4-hydroxyphenyl)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide Basic Attributes
529.66500
529.32283189
DTXSID00675954
Computed Properties
Molecular Weight:529.7
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:529.32283189
Monoisotopic Mass:529.32283189
Topological Polar Surface Area:83.3
Heavy Atom Count:38
Complexity:784
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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