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70260-53-6 | 2(1h)-pyrimidinone, 6-methyl-4-phenyl-
CAS No: 70260-53-6 Catalog No: AG005KFM MDL No:
Product Description
Catalog Number:
AG005KFM
Chemical Name:
2(1h)-pyrimidinone, 6-methyl-4-phenyl-
CAS Number:
70260-53-6
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
1-(1H-indol-4-yloxy)-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol
InChI:
InChI=1S/C23H28N2O3/c26-19(17-28-23-8-4-7-22-21(23)9-12-24-22)15-25-13-10-18(11-14-25)16-27-20-5-2-1-3-6-20/h1-9,12,18-19,24,26H,10-11,13-17H2
InChI Key:
ARFNSMYWLYZEPU-UHFFFAOYSA-N
SMILES:
Cc1cc(nc(=O)[nH]1)c1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.21g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
380.488g/mol
Monoisotopic Mass:
380.21g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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