1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-benzyl-7-[[(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl]oxy]-N,N,2-trimethylbenzimidazole-5-carboxamide

2.1.2 InChI

InChI=1S/C27H25F2N3O3/c1-16-30-26-21(32(16)15-17-7-5-4-6-8-17)11-18(27(33)31(2)3)12-24(26)35-22-9-10-34-23-14-19(28)13-20(29)25(22)23/h4-8,11-14,22H,9-10,15H2,1-3H3/t22-/m0/s1

2.1.3 InChI Key

XSTJPXPSOWLGBD-QFIPXVFZSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Ex-a9803s

2. 2975125-72-3

2.3 Create Date

2023-11-09

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₂₅F₂N₃O₃
Molecular Weight	477.5 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	56.6
Heavy Atom Count	35
Formal Charge	0
Complexity	736
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

1H-Benzimidazole-6-carboxamide, 4-[[(4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-N,N,2-trimethyl-1-(phenylmethyl)-

1H-Benzimidazole-6-carboxamide, 4-[[(4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-N,N,2-trimethyl-1-(phenylmethyl)-

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BUILDING BLOCK

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