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20426-64-6 | 1H-1-Benzazepine, 4-bromo-5-ethoxy-1-[(4-methylphenyl)sulfonyl]-
CAS No: 20426-64-6 Catalog No: AG0029E8 MDL No:
Product Description
Catalog Number:
AG0029E8
Chemical Name:
1H-1-Benzazepine, 4-bromo-5-ethoxy-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
20426-64-6
Molecular Formula:
C19H18BrNO3S
Molecular Weight:
420.3201
IUPAC Name:
4-bromo-5-ethoxy-1-(4-methylphenyl)sulfonyl-1-benzazepine
InChI:
InChI=1S/C19H18BrNO3S/c1-3-24-19-16-6-4-5-7-18(16)21(13-12-17(19)20)25(22,23)15-10-8-14(2)9-11-15/h4-13H,3H2,1-2H3
InChI Key:
PYGSIFMTYHLSIG-UHFFFAOYSA-N
SMILES:
CCOC1=C(Br)C=CN(c2c1cccc2)S(=O)(=O)c1ccc(cc1)C
NSC Number:
140801
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.019g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.321g/mol
Monoisotopic Mass:
419.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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