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350992-10-8 | 7-[4-[(3-PHENYLPHENYL)METHYL]PIPERAZIN-1-YL]-3H-BENZO[D]OXAZOL-2-ONE
CAS No: 350992-10-8 Catalog No: AG007FYK MDL No:
Product Description
Catalog Number:
AG007FYK
Chemical Name:
7-[4-[(3-PHENYLPHENYL)METHYL]PIPERAZIN-1-YL]-3H-BENZO[D]OXAZOL-2-ONE
CAS Number:
350992-10-8
Molecular Formula:
C24H23N3O2
Molecular Weight:
385.4583
IUPAC Name:
7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)
InChI Key:
CYGODHVAJQTCBG-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(o1)c(ccc2)N1CCN(CC1)Cc1cccc(c1)c1ccccc1
UNII:
AP69E83Z79
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.179g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.467g/mol
Monoisotopic Mass:
385.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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