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1462949-64-9 | Thieno[3,2-d]pyrimidine-6-methanol, 7-(5-fluoro-2-methoxyphenyl)-2-[[2-(1-methylethoxy)-4-(4-methyl-1-piperazinyl)phenyl]amino]-
CAS No: 1462949-64-9 Catalog No: AG001DUL MDL No:
Product Description
Catalog Number:
AG001DUL
Chemical Name:
Thieno[3,2-d]pyrimidine-6-methanol, 7-(5-fluoro-2-methoxyphenyl)-2-[[2-(1-methylethoxy)-4-(4-methyl-1-piperazinyl)phenyl]amino]-
CAS Number:
1462949-64-9
Molecular Formula:
C28H32FN5O3S
Molecular Weight:
537.6488
IUPAC Name:
[7-(5-fluoro-2-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyanilino]thieno[3,2-d]pyrimidin-6-yl]methanol
InChI:
InChI=1S/C28H32FN5O3S/c1-17(2)37-23-14-19(34-11-9-33(3)10-12-34)6-7-21(23)31-28-30-15-24-27(32-28)26(25(16-35)38-24)20-13-18(29)5-8-22(20)36-4/h5-8,13-15,17,35H,9-12,16H2,1-4H3,(H,30,31,32)
InChI Key:
SWRGFJBGNAEJOY-UHFFFAOYSA-N
SMILES:
OCc1sc2c(c1c1cc(F)ccc1OC)nc(nc2)Nc1ccc(cc1OC(C)C)N1CCN(CC1)C
Properties
Complexity:
747
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
537.221g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
537.654g/mol
Monoisotopic Mass:
537.221g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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