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77515-08-3 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-(3-phenylpropyl)-, (R)-
CAS No: 77515-08-3 Catalog No: AG0059B7 MDL No:
Product Description
Catalog Number:
AG0059B7
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-(3-phenylpropyl)-, (R)-
CAS Number:
77515-08-3
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
IUPAC Name:
(5R)-1-methyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C14H16N2O3/c1-16-13(18)11(12(17)15-14(16)19)9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,15,17,19)/t11-/m1/s1
InChI Key:
VEHOGALVLAFHLC-LLVKDONJSA-N
SMILES:
CN1C(=O)NC(=O)[C@H](C1=O)CCCc1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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