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926312-53-0 | 2(3H)-Benzoxazolone, 7-[4-oxido-4-(phenylmethyl)-1-piperazinyl]-
CAS No: 926312-53-0 Catalog No: AG0062WN MDL No:
Product Description
Catalog Number:
AG0062WN
Chemical Name:
2(3H)-Benzoxazolone, 7-[4-oxido-4-(phenylmethyl)-1-piperazinyl]-
CAS Number:
926312-53-0
Molecular Formula:
C18H19N3O3
Molecular Weight:
325.3618
IUPAC Name:
7-(4-benzyl-4-oxidopiperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C18H19N3O3/c22-18-19-15-7-4-8-16(17(15)24-18)20-9-11-21(23,12-10-20)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,19,22)
InChI Key:
IGQLWHFNPPMIPW-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(o1)c(ccc2)N1CC[N+](CC1)([O-])Cc1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.143g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.368g/mol
Monoisotopic Mass:
325.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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