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125398-82-5 | 1H-1,4-Diazepine, hexahydro-1-(phenylsulfonyl)-
CAS No: 125398-82-5 Catalog No: AG000NMC MDL No:MFCD09050365
Product Description
Catalog Number:
AG000NMC
Chemical Name:
1H-1,4-Diazepine, hexahydro-1-(phenylsulfonyl)-
CAS Number:
125398-82-5
Molecular Formula:
C11H16N2O2S
Molecular Weight:
240.3219
MDL Number:
MFCD09050365
IUPAC Name:
1-(benzenesulfonyl)-1,4-diazepane
InChI:
InChI=1S/C11H16N2O2S/c14-16(15,11-5-2-1-3-6-11)13-9-4-7-12-8-10-13/h1-3,5-6,12H,4,7-10H2
InChI Key:
OWUWJUWAQBNHEQ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)N1CCNCCC1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.321g/mol
Monoisotopic Mass:
240.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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