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918480-62-3 | Methanone, (5-methyl-3-isoxazolyl)[4-(3-phenylpropyl)-1-piperazinyl]-
CAS No: 918480-62-3 Catalog No: AG006E7A MDL No:
Product Description
Catalog Number:
AG006E7A
Chemical Name:
Methanone, (5-methyl-3-isoxazolyl)[4-(3-phenylpropyl)-1-piperazinyl]-
CAS Number:
918480-62-3
Molecular Formula:
C18H23N3O2
Molecular Weight:
313.3941
IUPAC Name:
(5-methyl-1,2-oxazol-3-yl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
InChI:
InChI=1S/C18H23N3O2/c1-15-14-17(19-23-15)18(22)21-12-10-20(11-13-21)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3
InChI Key:
JAZFTEKBOTWZMA-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)C(=O)N1CCN(CC1)CCCc1ccccc1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.179g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.401g/mol
Monoisotopic Mass:
313.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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