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14937-56-5 | 4(3H)-Pyrimidinone, 2-amino-5-[3-(4-nitrophenoxy)propyl]-6-phenyl-
CAS No: 14937-56-5 Catalog No: AG001LN1 MDL No:
Product Description
Catalog Number:
AG001LN1
Chemical Name:
4(3H)-Pyrimidinone, 2-amino-5-[3-(4-nitrophenoxy)propyl]-6-phenyl-
CAS Number:
14937-56-5
Molecular Formula:
C19H18N4O4
Molecular Weight:
366.3706
IUPAC Name:
2-amino-5-[3-(4-nitrophenoxy)propyl]-4-phenyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C19H18N4O4/c20-19-21-17(13-5-2-1-3-6-13)16(18(24)22-19)7-4-12-27-15-10-8-14(9-11-15)23(25)26/h1-3,5-6,8-11H,4,7,12H2,(H3,20,21,22,24)
InChI Key:
PMALEAKMHWJFCJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCCc1c(=O)[nH]c(nc1c1ccccc1)N
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.133g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.377g/mol
Monoisotopic Mass:
366.133g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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