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158798-74-4 | 5H-Dibenz[b,f]azepin-2-ol, 5-[3-(dimethylamino)-2-methylpropyl]-, 2-acetate
CAS No: 158798-74-4 Catalog No: AG001QVF MDL No:
Product Description
Catalog Number:
AG001QVF
Chemical Name:
5H-Dibenz[b,f]azepin-2-ol, 5-[3-(dimethylamino)-2-methylpropyl]-, 2-acetate
CAS Number:
158798-74-4
Molecular Formula:
C22H26N2O2
Molecular Weight:
350.4540
IUPAC Name:
[11-[3-(dimethylamino)-2-methylpropyl]benzo[b][1]benzazepin-3-yl] acetate
InChI:
InChI=1S/C22H26N2O2/c1-16(14-23(3)4)15-24-21-8-6-5-7-18(21)9-10-19-13-20(26-17(2)25)11-12-22(19)24/h5-13,16H,14-15H2,1-4H3
InChI Key:
UQTXRYHGNLFLMF-UHFFFAOYSA-N
SMILES:
CN(CC(CN1c2ccc(cc2C=Cc2c1cccc2)OC(=O)C)C)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.199g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.462g/mol
Monoisotopic Mass:
350.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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