Name: Name:MAChR-IN-1
Brand: Angene
SKU: AG008TMI
Rating: 90 (10 reviews)

MAChR-IN-1

CAS No.:

119391-56-9

Catalog Number:

AG008TMI

Molecular Formula:

C23H25IN2O2

Molecular Weight:

488.3613

Catalog Number:

AG008TMI

Chemical Name:

MAChR-IN-1

CAS Number:

119391-56-9

Molecular Formula:

C23H25IN2O2

Molecular Weight:

488.3613

IUPAC Name:

3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione

InChI:

InChI=1S/C23H25IN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)

InChI Key:

WJLRTFJPHDSXAF-UHFFFAOYSA-N

SMILES:

O=C1CCC(C(=O)N1)(C1CCN(CC1)Cc1ccc(cc1)I)c1ccccc1

Complexity:

561

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

488.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

488.369g/mol

Monoisotopic Mass:

488.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8