2-Oxa-5,8,11-triazabicyclo[12.2.2]octadeca-14,16,17-triene-12-propanamide, α,α-difluoro-9-(1-methylethyl)-β,4,7,10-tetraoxo-N-(phenylmethyl)-, [9S-(9R*,12R*)]-
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![2-Oxa-5,8,11-triazabicyclo[12.2.2]octadeca-14,16,17-triene-12-propanamide, α,α-difluoro-9-(1-methylethyl)-β,4,7,10-tetraoxo-N-(phenylmethyl)-, [9S-(9R*,12R*)]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c0c47cd8feb54724816b3715f350c2fe.png "2-Oxa-5,8,11-triazabicyclo[12.2.2]octadeca-14,16,17-triene-12-propanamide, α,α-difluoro-9-(1-methylethyl)-β,4,7,10-tetraoxo-N-(phenylmethyl)-, [9S-(9R*,12R*)]-")
2-Oxa-5,8,11-triazabicyclo[12.2.2]octadeca-14,16,17-triene-12-propanamide, α,α-difluoro-9-(1-methylethyl)-β,4,7,10-tetraoxo-N-(phenylmethyl)-, [9S-(9R*,12R*)]-
structure -
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CAS No:
158268-42-9
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Formula:
C27H30F2N4O6
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Chemical Name:
2-Oxa-5,8,11-triazabicyclo[12.2.2]octadeca-14,16,17-triene-12-propanamide, α,α-difluoro-9-(1-methylethyl)-β,4,7,10-tetraoxo-N-(phenylmethyl)-, [9S-(9R*,12R*)]-
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Synonyms:
2-Oxa-5,8,11-triazabicyclo[12.2.2]octadeca-14,16,17-triene-12-propanamide,α,α-difluoro-9-(1-methylethyl)-β,4,7,10-tetraoxo-N-(phenylmethyl)-,[9S-(9R*,12R*)]-;MDL 104168
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CAS No:
2-Oxa-5,8,11-triazabicyclo[12.2.2]octadeca-14,16,17-triene-12-propanamide, α,α-difluoro-9-(1-methylethyl)-β,4,7,10-tetraoxo-N-(phenylmethyl)-, [9S-(9R*,12R*)]- Basic Attributes
544.5 g/mol
544.55
DTXSID40166391
Drug Information
alpha,alpha-difluoro-9-(1-methylethyl)-beta,4,7,10-tetraoxo-N-(phenylmethyl)-2-oxa-5,8,11-tetrabicyclo(12.2.2)octadeca-14,16,17-triene-12-propanamide
Computed Properties
Molecular Weight:544.5
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:544.21334101
Monoisotopic Mass:544.21334101
Topological Polar Surface Area:148
Heavy Atom Count:39
Complexity:916
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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