Name: Name:Benzenemethanamine, N,N-dimethyl-4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-
Brand: Angene
SKU: AG00II0V
Rating: 90 (10 reviews)

Benzenemethanamine, N,N-dimethyl-4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-

CAS No.:

942919-72-4

Catalog Number:

AG00II0V

Molecular Formula:

C28H32BN3O4S

Molecular Weight:

517.4474

Catalog Number:

AG00II0V

Chemical Name:

Benzenemethanamine, N,N-dimethyl-4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-

CAS Number:

942919-72-4

Molecular Formula:

C28H32BN3O4S

Molecular Weight:

517.4474

MDL Number:

MFCD11617862

IUPAC Name:

1-[4-[1-(benzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine

InChI:

InChI=1S/C28H32BN3O4S/c1-27(2)28(3,4)36-29(35-27)24-16-17-30-26-23(24)18-25(21-14-12-20(13-15-21)19-31(5)6)32(26)37(33,34)22-10-8-7-9-11-22/h7-18H,19H2,1-6H3

InChI Key:

KMPFYNPZTKSJHQ-UHFFFAOYSA-N

SMILES:

CN(Cc1ccc(cc1)c1cc2c(n1S(=O)(=O)c1ccccc1)nccc2B1OC(C(O1)(C)C)(C)C)C

Complexity:

878

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

517.221g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

517.451g/mol

Monoisotopic Mass:

517.221g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: