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942473-77-0 | 1-Benzhydryl-3-(4-bromophenylthio)azetidine
CAS No: 942473-77-0 Catalog No: AG01EZF4 MDL No:MFCD09475462
Product Description
Catalog Number:
AG01EZF4
Chemical Name:
1-Benzhydryl-3-(4-bromophenylthio)azetidine
CAS Number:
942473-77-0
Molecular Formula:
C22H20BrNS
Molecular Weight:
410.3699
MDL Number:
MFCD09475462
IUPAC Name:
1-benzhydryl-3-(4-bromophenyl)sulfanylazetidine
InChI:
InChI=1S/C22H20BrNS/c23-19-11-13-20(14-12-19)25-21-15-24(16-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21-22H,15-16H2
InChI Key:
AYSRARHJXLHJQP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)SC1CN(C1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.05g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.373g/mol
Monoisotopic Mass:
409.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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