Name: Name:Bitopertin R-Enantiomer
Brand: Angene
SKU: AG00G3NW
Rating: 90 (10 reviews)

Bitopertin R-Enantiomer

CAS No.:

845614-12-2

Catalog Number:

AG00G3NW

Molecular Formula:

C21H20F7N3O4S

Molecular Weight:

543.4550

Catalog Number:

AG00G3NW

Chemical Name:

Bitopertin R-Enantiomer

CAS Number:

845614-12-2

Molecular Formula:

C21H20F7N3O4S

Molecular Weight:

543.4550

MDL Number:

MFCD25541737

IUPAC Name:

[4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone

InChI:

InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m1/s1

InChI Key:

YUUGYIUSCYNSQR-GFCCVEGCSA-N

SMILES:

Fc1cc(cnc1N1CCN(CC1)C(=O)c1cc(ccc1OC(C(F)(F)F)C)S(=O)(=O)C)C(F)(F)F

Complexity:

872

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

543.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

543.457g/mol

Monoisotopic Mass:

543.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: