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1001340-84-6 | BenzaMide, 2-chloro-N-[2-(3-pyridinylaMino)-5-pyriMidinyl]-5-[[3-(trifluoroMethyl)benzoyl]aMino]-
CAS No: 1001340-84-6 Catalog No: AG000120 MDL No:
Product Description
Catalog Number:
AG000120
Chemical Name:
BenzaMide, 2-chloro-N-[2-(3-pyridinylaMino)-5-pyriMidinyl]-5-[[3-(trifluoroMethyl)benzoyl]aMino]-
CAS Number:
1001340-84-6
Molecular Formula:
C24H16ClF3N6O2
Molecular Weight:
512.8710
IUPAC Name:
2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
InChI:
InChI=1S/C24H16ClF3N6O2/c25-20-7-6-16(32-21(35)14-3-1-4-15(9-14)24(26,27)28)10-19(20)22(36)33-18-12-30-23(31-13-18)34-17-5-2-8-29-11-17/h1-13H,(H,32,35)(H,33,36)(H,30,31,34)
InChI Key:
DFILDJONVZJUCP-UHFFFAOYSA-N
SMILES:
O=C(c1cc(ccc1Cl)NC(=O)c1cccc(c1)C(F)(F)F)Nc1cnc(nc1)Nc1cccnc1
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.098g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
512.877g/mol
Monoisotopic Mass:
512.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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