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137205-94-8 | 4(3H)-Pyrimidinone, 2,6-bis[(phenylmethylene)amino]-
CAS No: 137205-94-8 Catalog No: AG0012XM MDL No:
Product Description
Catalog Number:
AG0012XM
Chemical Name:
4(3H)-Pyrimidinone, 2,6-bis[(phenylmethylene)amino]-
CAS Number:
137205-94-8
Molecular Formula:
C18H14N4O
Molecular Weight:
302.3300
IUPAC Name:
2,4-bis(benzylideneamino)-1H-pyrimidin-6-one
InChI:
InChI=1S/C18H14N4O/c23-17-11-16(19-12-14-7-3-1-4-8-14)21-18(22-17)20-13-15-9-5-2-6-10-15/h1-13H,(H,21,22,23)
InChI Key:
HWQCRYLPLXEDLY-UHFFFAOYSA-N
SMILES:
O=c1cc(N=Cc2ccccc2)nc([nH]1)N=Cc1ccccc1
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.337g/mol
Monoisotopic Mass:
302.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.5
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