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113791-19-8 | 2-Azetidinone, 3-(diethylamino)-4-phenyl-1-(phenylmethyl)-, trans- (9CI)
CAS No: 113791-19-8 Catalog No: AG0009OT MDL No:
Product Description
Catalog Number:
AG0009OT
Chemical Name:
2-Azetidinone, 3-(diethylamino)-4-phenyl-1-(phenylmethyl)-, trans- (9CI)
CAS Number:
113791-19-8
Molecular Formula:
C20H24N2O
Molecular Weight:
308.4174
IUPAC Name:
(3S,4S)-1-benzyl-3-(diethylamino)-4-phenylazetidin-2-one
InChI:
InChI=1S/C20H24N2O/c1-3-21(4-2)19-18(17-13-9-6-10-14-17)22(20(19)23)15-16-11-7-5-8-12-16/h5-14,18-19H,3-4,15H2,1-2H3/t18-,19-/m0/s1
InChI Key:
AUKKDZORHNNHBU-OALUTQOASA-N
SMILES:
CCN([C@@H]1C(=O)N([C@H]1c1ccccc1)Cc1ccccc1)CC
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
308.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.425g/mol
Monoisotopic Mass:
308.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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