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767307-90-4 | Benzamide,N-(tetrahydro-2,2-dimethyl-6-oxo-1(2H)-pyrimidinyl)-
CAS No: 767307-90-4 Catalog No: AG005IIQ MDL No:
Product Description
Catalog Number:
AG005IIQ
Chemical Name:
Benzamide,N-(tetrahydro-2,2-dimethyl-6-oxo-1(2H)-pyrimidinyl)-
CAS Number:
767307-90-4
Molecular Formula:
C13H17N3O2
Molecular Weight:
247.2930
IUPAC Name:
N-(2,2-dimethyl-6-oxo-1,3-diazinan-1-yl)benzamide
InChI:
InChI=1S/C13H17N3O2/c1-13(2)14-9-8-11(17)16(13)15-12(18)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3,(H,15,18)
InChI Key:
BVQCQXDRPQKLHI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NN1C(=O)CCNC1(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.298g/mol
Monoisotopic Mass:
247.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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