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1421227-52-2 | Cyclopropanecarboxamide, N-[6-[4-[[[[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-4-pyrimidinyl]-
CAS No: 1421227-52-2 Catalog No: AG001HTE MDL No:MFCD26142950
Product Description
Catalog Number:
AG001HTE
Chemical Name:
Cyclopropanecarboxamide, N-[6-[4-[[[[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-4-pyrimidinyl]-
CAS Number:
1421227-52-2
Molecular Formula:
C28H30F3N7O3
Molecular Weight:
569.5781
MDL Number:
MFCD26142950
IUPAC Name:
N-[6-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
InChI:
InChI=1S/C28H30F3N7O3/c1-37-10-12-38(13-11-37)16-19-4-5-21(14-23(19)28(29,30)31)35-27(40)34-20-6-8-22(9-7-20)41-25-15-24(32-17-33-25)36-26(39)18-2-3-18/h4-9,14-15,17-18H,2-3,10-13,16H2,1H3,(H2,34,35,40)(H,32,33,36,39)
InChI Key:
KIKOYRNAERIVSJ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)Nc1ccc(cc1)Oc1ncnc(c1)NC(=O)C1CC1
Properties
Complexity:
877
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
569.236g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
569.589g/mol
Monoisotopic Mass:
569.236g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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