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99541-40-9 | 2(3H)-Benzoxazolone, 6-benzoyl-3-(1-piperidinylmethyl)-
CAS No: 99541-40-9 Catalog No: AG00655Q MDL No:
Product Description
Catalog Number:
AG00655Q
Chemical Name:
2(3H)-Benzoxazolone, 6-benzoyl-3-(1-piperidinylmethyl)-
CAS Number:
99541-40-9
Molecular Formula:
C20H20N2O3
Molecular Weight:
336.3844
IUPAC Name:
6-benzoyl-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C20H20N2O3/c23-19(15-7-3-1-4-8-15)16-9-10-17-18(13-16)25-20(24)22(17)14-21-11-5-2-6-12-21/h1,3-4,7-10,13H,2,5-6,11-12,14H2
InChI Key:
POOSUWLKRAWFKU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)oc(=O)n2CN1CCCCC1)c1ccccc1
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.391g/mol
Monoisotopic Mass:
336.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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