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1454920-20-7 | Thieno[2,3-d]pyrimidine, 4-[4-(4,5-dihydro-5,5-dimethyl-2-thiazolyl)-1-piperazinyl]-6-(2,2,2-trifluoroethyl)-
CAS No: 1454920-20-7 Catalog No: AG001D3W MDL No:MFCD29044864
Product Description
Catalog Number:
AG001D3W
Chemical Name:
Thieno[2,3-d]pyrimidine, 4-[4-(4,5-dihydro-5,5-dimethyl-2-thiazolyl)-1-piperazinyl]-6-(2,2,2-trifluoroethyl)-
CAS Number:
1454920-20-7
Molecular Formula:
C17H20F3N5S2
Molecular Weight:
415.4994
MDL Number:
MFCD29044864
IUPAC Name:
4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
InChI:
InChI=1S/C17H20F3N5S2/c1-16(2)9-21-15(27-16)25-5-3-24(4-6-25)13-12-7-11(8-17(18,19)20)26-14(12)23-10-22-13/h7,10H,3-6,8-9H2,1-2H3
InChI Key:
SFDROHXKTATJBI-UHFFFAOYSA-N
SMILES:
FC(Cc1sc2c(c1)c(ncn2)N1CCN(CC1)C1=NCC(S1)(C)C)(F)F
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.111g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.497g/mol
Monoisotopic Mass:
415.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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