Name: Name:Phosphonic acid,[2-[[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]amino]-2-oxoethyl]-, diethyl ester
Brand: Angene
SKU: AG00IAX5
Rating: 90 (10 reviews)

Phosphonic acid,[2-[[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]amino]-2-oxoethyl]-, diethyl ester

CAS No.:

618061-76-0

Catalog Number:

AG00IAX5

Molecular Formula:

C24H27ClFN4O6P

Molecular Weight:

552.9195

Catalog Number:

AG00IAX5

Chemical Name:

Phosphonic acid,[2-[[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]amino]-2-oxoethyl]-, diethyl ester

CAS Number:

618061-76-0

Molecular Formula:

C24H27ClFN4O6P

Molecular Weight:

552.9195

MDL Number:

MFCD19440885

IUPAC Name:

N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-2-diethoxyphosphorylacetamide

InChI:

InChI=1S/C24H27ClFN4O6P/c1-3-34-37(32,35-4-2)13-23(31)30-21-10-17-20(11-22(21)36-16-7-8-33-12-16)27-14-28-24(17)29-15-5-6-19(26)18(25)9-15/h5-6,9-11,14,16H,3-4,7-8,12-13H2,1-2H3,(H,30,31)(H,27,28,29)/t16-/m0/s1

InChI Key:

FNGRCLBEXKFSST-INIZCTEOSA-N

SMILES:

CCOP(=O)(CC(=O)Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F)OCC

EC Number:

928-634-1

Complexity:

792

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

552.134g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

552.924g/mol

Monoisotopic Mass:

552.134g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

121A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9