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21083-13-6 | 1,2-Diazetidin-3-one, 1-(diphenylmethyl)-4-phenyl-
CAS No: 21083-13-6 Catalog No: AG002L0H MDL No:
Product Description
Catalog Number:
AG002L0H
Chemical Name:
1,2-Diazetidin-3-one, 1-(diphenylmethyl)-4-phenyl-
CAS Number:
21083-13-6
Molecular Formula:
C21H18N2O
Molecular Weight:
314.3804
IUPAC Name:
1-benzhydryl-4-phenyldiazetidin-3-one
InChI:
InChI=1S/C21H18N2O/c24-21-20(18-14-8-3-9-15-18)23(22-21)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-20H,(H,22,24)
InChI Key:
WWUKXOICNQTYQZ-UHFFFAOYSA-N
SMILES:
O=C1NN(C1c1ccccc1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.388g/mol
Monoisotopic Mass:
314.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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