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87060-91-1 | 2,4(1H,3H)-Pyrimidinedione, dihydro-1-methyl-5,6-diphenyl-, trans-
CAS No: 87060-91-1 Catalog No: AG004N9W MDL No:
Product Description
Catalog Number:
AG004N9W
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, dihydro-1-methyl-5,6-diphenyl-, trans-
CAS Number:
87060-91-1
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
IUPAC Name:
(5S,6R)-1-methyl-5,6-diphenyl-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C17H16N2O2/c1-19-15(13-10-6-3-7-11-13)14(16(20)18-17(19)21)12-8-4-2-5-9-12/h2-11,14-15H,1H3,(H,18,20,21)/t14-,15-/m0/s1
InChI Key:
KICSTHVXIGSFGW-GJZGRUSLSA-N
SMILES:
O=C1NC(=O)N([C@H]([C@@H]1c1ccccc1)c1ccccc1)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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