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Home > Fluorides > 1482457-84-0
1482457-84-0 | Benzo[h]quinazolin-4(3H)-one, 5,6-dihydro-9-methoxy-3,5,5-trimethyl-2-[(2,2,2-trifluoroethyl)thio]-
CAS No: 1482457-84-0 Catalog No: AG001FJA MDL No:
Product Description
Catalog Number:
AG001FJA
Chemical Name:
Benzo[h]quinazolin-4(3H)-one, 5,6-dihydro-9-methoxy-3,5,5-trimethyl-2-[(2,2,2-trifluoroethyl)thio]-
CAS Number:
1482457-84-0
Molecular Formula:
C18H19F3N2O2S
Molecular Weight:
384.4159
IUPAC Name:
9-methoxy-3,5,5-trimethyl-2-(2,2,2-trifluoroethylsulfanyl)-6H-benzo[h]quinazolin-4-one
InChI:
InChI=1S/C18H19F3N2O2S/c1-17(2)8-10-5-6-11(25-4)7-12(10)14-13(17)15(24)23(3)16(22-14)26-9-18(19,20)21/h5-7H,8-9H2,1-4H3
InChI Key:
OEAAZHPVRAHPKR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1nc(SCC(F)(F)F)n(c(=O)c1C(C2)(C)C)C
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.417g/mol
Monoisotopic Mass:
384.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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