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116234-50-5 | 1H-3-Benzazepin-7-ol, 5-(4-azidophenyl)-2,3,4,5-tetrahydro-8-iodo-3-methyl-
CAS No: 116234-50-5 Catalog No: AG000BZU MDL No:
Product Description
Catalog Number:
AG000BZU
Chemical Name:
1H-3-Benzazepin-7-ol, 5-(4-azidophenyl)-2,3,4,5-tetrahydro-8-iodo-3-methyl-
CAS Number:
116234-50-5
Molecular Formula:
C17H17IN4O
Molecular Weight:
420.2476
IUPAC Name:
5-(4-azidophenyl)-8-iodo-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
InChI:
InChI=1S/C17H17IN4O/c1-22-7-6-12-8-16(18)17(23)9-14(12)15(10-22)11-2-4-13(5-3-11)20-21-19/h2-5,8-9,15,23H,6-7,10H2,1H3
InChI Key:
LMFAFFIRCNUJJO-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1)C1CN(C)CCc2c1cc(O)c(c2)I
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.045g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.254g/mol
Monoisotopic Mass:
420.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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