Name: Name:Ido-in-6
Brand: Angene
SKU: AG009CID
Rating: 90 (10 reviews)

Ido-in-6

CAS No.:

1402837-76-6

Catalog Number:

AG009CID

Molecular Formula:

C18H21FN2O2

Molecular Weight:

316.3699

Catalog Number:

AG009CID

Chemical Name:

Ido-in-6

CAS Number:

1402837-76-6

Molecular Formula:

C18H21FN2O2

Molecular Weight:

316.3699

MDL Number:

MFCD30207887

IUPAC Name:

4-[(1S)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol

InChI:

InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11?,12?,15-,17-/m0/s1

InChI Key:

YGACXVRLDHEXKY-VDPJLGHJSA-N

SMILES:

O[C@@H]1CC[C@H](CC1)[C@H](C[C@@H]1n2cncc2c2c1c(F)ccc2)O

Complexity:

416

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.159g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.376g/mol

Monoisotopic Mass:

316.159g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1