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139119-52-1 | 4(1H)-Pyrimidinone, 1-benzoyl-2-(1,1-dimethylethyl)tetrahydro-3-methyl-, (2S)-
CAS No: 139119-52-1 Catalog No: AG001ABV MDL No:
Product Description
Catalog Number:
AG001ABV
Chemical Name:
4(1H)-Pyrimidinone, 1-benzoyl-2-(1,1-dimethylethyl)tetrahydro-3-methyl-, (2S)-
CAS Number:
139119-52-1
Molecular Formula:
C16H22N2O2
Molecular Weight:
274.3581
IUPAC Name:
(2S)-1-benzoyl-2-tert-butyl-3-methyl-1,3-diazinan-4-one
InChI:
InChI=1S/C16H22N2O2/c1-16(2,3)15-17(4)13(19)10-11-18(15)14(20)12-8-6-5-7-9-12/h5-9,15H,10-11H2,1-4H3/t15-/m0/s1
InChI Key:
XEOBSMIUNSHXJO-HNNXBMFYSA-N
SMILES:
O=C1CCN([C@H](N1C)C(C)(C)C)C(=O)c1ccccc1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
274.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.364g/mol
Monoisotopic Mass:
274.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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