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97872-00-9 | 2-benzo[d]isoxazol-3-yl-N-(2-phenylpropan-2-yl)acetamide
CAS No: 97872-00-9 Catalog No: AG006AUV MDL No:
Product Description
Catalog Number:
AG006AUV
Chemical Name:
2-benzo[d]isoxazol-3-yl-N-(2-phenylpropan-2-yl)acetamide
CAS Number:
97872-00-9
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
IUPAC Name:
2-(1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamide
InChI:
InChI=1S/C18H18N2O2/c1-18(2,13-8-4-3-5-9-13)19-17(21)12-15-14-10-6-7-11-16(14)22-20-15/h3-11H,12H2,1-2H3,(H,19,21)
InChI Key:
OLVBOSZZKBNGJJ-UHFFFAOYSA-N
SMILES:
O=C(NC(c1ccccc1)(C)C)Cc1noc2c1cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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