Home Sulfos 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,4-diazepane

1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,4-diazepane

CAS No.:
1082556-61-3
Catalog Number:
AG01A884
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
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Product Description
Catalog Number:
AG01A884
Chemical Name:
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,4-diazepane
CAS Number:
1082556-61-3
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
MDL Number:
MFCD11583412
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepane
InChI:
InChI=1S/C13H18N2O4S/c16-20(17,15-6-1-4-14-5-7-15)11-2-3-12-13(10-11)19-9-8-18-12/h2-3,10,14H,1,4-9H2
InChI Key:
IKEOVWVUWHYMEJ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCNCCC1
Properties
Complexity:
423  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.357g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties