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113952-21-9 | 5H-Dibenz[b,f]azepine-5-carboxamide, 10-(acetyloxy)-10,11-dihydro-11-oxo-
CAS No: 113952-21-9 Catalog No: AG000A51 MDL No:
Product Description
Catalog Number:
AG000A51
Chemical Name:
5H-Dibenz[b,f]azepine-5-carboxamide, 10-(acetyloxy)-10,11-dihydro-11-oxo-
CAS Number:
113952-21-9
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
(11-carbamoyl-5-oxo-6H-benzo[b][1]benzazepin-6-yl) acetate
InChI:
InChI=1S/C17H14N2O4/c1-10(20)23-16-12-7-3-5-9-14(12)19(17(18)22)13-8-4-2-6-11(13)15(16)21/h2-9,16H,1H3,(H2,18,22)
InChI Key:
ZKWJEEHQNGPADU-UHFFFAOYSA-N
SMILES:
CC(=O)OC1c2ccccc2N(c2c(C1=O)cccc2)C(=O)N
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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