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83783-77-1 | 3-(Dibenzylamino)azepan-2-one
CAS No: 83783-77-1 Catalog No: AG0055Q6 MDL No:
Product Description
Catalog Number:
AG0055Q6
Chemical Name:
3-(Dibenzylamino)azepan-2-one
CAS Number:
83783-77-1
Molecular Formula:
C20H24N2O
Molecular Weight:
308.4174
IUPAC Name:
3-(dibenzylamino)azepan-2-one
InChI:
InChI=1S/C20H24N2O/c23-20-19(13-7-8-14-21-20)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2,(H,21,23)
InChI Key:
BRAYCQJGMBISSA-UHFFFAOYSA-N
SMILES:
O=C1NCCCCC1N(Cc1ccccc1)Cc1ccccc1
EC Number:
280-811-6
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
308.425g/mol
Monoisotopic Mass:
308.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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