Name: Name:1H-Isoindol-1-one, 7-broMo-2,3-dihydro-2-[2-[3-(2-pyriMidinyl)phenyl]ethyl]-
Brand: Angene
SKU: AG001GWW
Rating: 90 (10 reviews)

1H-Isoindol-1-one, 7-broMo-2,3-dihydro-2-[2-[3-(2-pyriMidinyl)phenyl]ethyl]-

CAS No.:

1417190-47-6

Catalog Number:

AG001GWW

Molecular Formula:

C20H16BrN3O

Molecular Weight:

394.2645

Catalog Number:

AG001GWW

Chemical Name:

1H-Isoindol-1-one, 7-broMo-2,3-dihydro-2-[2-[3-(2-pyriMidinyl)phenyl]ethyl]-

CAS Number:

1417190-47-6

Molecular Formula:

C20H16BrN3O

Molecular Weight:

394.2645

MDL Number:

MFCD25542404

IUPAC Name:

7-bromo-2-[2-(3-pyrimidin-2-ylphenyl)ethyl]-3H-isoindol-1-one

InChI:

InChI=1S/C20H16BrN3O/c21-17-7-2-6-16-13-24(20(25)18(16)17)11-8-14-4-1-5-15(12-14)19-22-9-3-10-23-19/h1-7,9-10,12H,8,11,13H2

InChI Key:

RSUFNOYQDURHIE-UHFFFAOYSA-N

SMILES:

Brc1cccc2c1C(=O)N(C2)CCc1cccc(c1)c1ncccn1

Complexity:

468

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

393.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

394.272g/mol

Monoisotopic Mass:

393.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5