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203519-16-8 | 1H-1,4-Diazepine, 1-[(4-chlorophenyl)sulfonyl]hexahydro-
CAS No: 203519-16-8 Catalog No: AG0028XW MDL No:
Product Description
Catalog Number:
AG0028XW
Chemical Name:
1H-1,4-Diazepine, 1-[(4-chlorophenyl)sulfonyl]hexahydro-
CAS Number:
203519-16-8
Molecular Formula:
C11H15ClN2O2S
Molecular Weight:
274.7670
IUPAC Name:
1-(4-chlorophenyl)sulfonyl-1,4-diazepane
InChI:
InChI=1S/C11H15ClN2O2S/c12-10-2-4-11(5-3-10)17(15,16)14-8-1-6-13-7-9-14/h2-5,13H,1,6-9H2
InChI Key:
YYQLDNIWEVJMJZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)N1CCNCCC1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.763g/mol
Monoisotopic Mass:
274.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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