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1389264-17-8 | Acetamide, N-[2-(diethylamino)ethyl]-2-[[2-[[(4-fluorophenyl)methyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]-
CAS No: 1389264-17-8 Catalog No: AG0019UL MDL No:MFCD22415240
Product Description
Catalog Number:
AG0019UL
Chemical Name:
Acetamide, N-[2-(diethylamino)ethyl]-2-[[2-[[(4-fluorophenyl)methyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]-
CAS Number:
1389264-17-8
Molecular Formula:
C36H38F4N4O2S
Molecular Weight:
666.7711
MDL Number:
MFCD22415240
IUPAC Name:
N-[2-(diethylamino)ethyl]-2-[[2-[(4-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
InChI:
InChI=1S/C36H38F4N4O2S/c1-3-43(4-2)20-21-44(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-46-34-31-6-5-7-32(31)41-35(42-34)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
InChI Key:
KELIVYXNVITYCV-UHFFFAOYSA-N
SMILES:
CCN(CCN(C(=O)COc1nc(SCc2ccc(cc2)F)nc2c1CCC2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC
Properties
Complexity:
934
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
666.265g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
666.78g/mol
Monoisotopic Mass:
666.265g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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