Name: Name:Methanesulfonamide, N-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-
Brand: Angene
SKU: AG002X0S
Rating: 90 (10 reviews)

Methanesulfonamide, N-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-

CAS No.:

289042-10-0

Catalog Number:

AG002X0S

Molecular Formula:

C28H29FN3O3PS

Molecular Weight:

537.5853

Catalog Number:

AG002X0S

Chemical Name:

Methanesulfonamide, N-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-

CAS Number:

289042-10-0

Molecular Formula:

C28H29FN3O3PS

Molecular Weight:

537.5853

MDL Number:

MFCD09839448

IUPAC Name:

N-[5-(diphenylphosphorylmethyl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide

InChI:

InChI=1S/C28H29FN3O3PS/c1-20(2)26-25(19-36(33,23-11-7-5-8-12-23)24-13-9-6-10-14-24)27(21-15-17-22(29)18-16-21)31-28(30-26)32(3)37(4,34)35/h5-18,20H,19H2,1-4H3

InChI Key:

CVRDGWDBQZPJJI-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)c1nc(nc(c1CP(=O)(c1ccccc1)c1ccccc1)C(C)C)N(S(=O)(=O)C)C

EC Number:

608-289-0

Complexity:

856

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

537.165g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

537.59g/mol

Monoisotopic Mass:

537.165g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7