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Home > Other Heterocycles > 335620-96-7
335620-96-7 | 3-(benzenesulfonyl)-7-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CAS No: 335620-96-7 Catalog No: AG019ELR MDL No:MFCD24873315
Product Description
Catalog Number:
AG019ELR
Chemical Name:
3-(benzenesulfonyl)-7-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CAS Number:
335620-96-7
Molecular Formula:
C19H22N2O3S
Molecular Weight:
358.4546
MDL Number:
MFCD24873315
IUPAC Name:
3-(benzenesulfonyl)-7-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
InChI:
InChI=1S/C19H22N2O3S/c22-25(23,19-9-5-2-6-10-19)21-14-17-12-20(13-18(15-21)24-17)11-16-7-3-1-4-8-16/h1-10,17-18H,11-15H2
InChI Key:
ZDOBEODZHJDKSC-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)N1CC2CN(CC(C1)O2)Cc1ccccc1
EC Number:
921-652-0
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.135g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.456g/mol
Monoisotopic Mass:
358.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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