1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(1S,2S)-1-cyano-2-methylcyclopropyl]-5-[(4S)-2,2-dimethyloxan-4-yl]-N-methyl-N-phenylindole-2-carboxamide

2.1.2 InChI

InChI=1S/C28H31N3O2/c1-19-16-28(19,18-29)31-24-11-10-20(21-12-13-33-27(2,3)17-21)14-22(24)15-25(31)26(32)30(4)23-8-6-5-7-9-23/h5-11,14-15,19,21H,12-13,16-17H2,1-4H3/t19-,21-,28+/m0/s1

2.1.3 InChI Key

DZSJXRCRGWPYKC-BDHWGLMFSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl21175425

2. 2212021-81-1

2.3 Create Date

2019-11-02

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₁N₃O₂
Molecular Weight	441.6 g/mol
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	58.3
Heavy Atom Count	33
Formal Charge	0
Complexity	796
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 2212021-81-1

CAS 2212021-81-1

CHEMISTRY

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BUILDING BLOCK

1 Suppliers

1 End Use APIs

6 Related Intermediates

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