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Home > Fluorides > 821786-18-9
821786-18-9 | Thieno[2,3-d]pyrimidine, 4-(4-fluorophenyl)-6-methyl-2-(1-piperazinyl)-
CAS No: 821786-18-9 Catalog No: AG00578K MDL No:
Product Description
Catalog Number:
AG00578K
Chemical Name:
Thieno[2,3-d]pyrimidine, 4-(4-fluorophenyl)-6-methyl-2-(1-piperazinyl)-
CAS Number:
821786-18-9
Molecular Formula:
C17H17FN4S
Molecular Weight:
328.4071
IUPAC Name:
4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
InChI:
InChI=1S/C17H17FN4S/c1-11-10-14-15(12-2-4-13(18)5-3-12)20-17(21-16(14)23-11)22-8-6-19-7-9-22/h2-5,10,19H,6-9H2,1H3
InChI Key:
RPAHSYFCNLXPPJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nc(nc2c1cc(s2)C)N1CCNCC1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.409g/mol
Monoisotopic Mass:
328.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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