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Home > Other Heterocycles > 1690364-50-1
1690364-50-1 | 7-benzyl-3lambda6-thia-7,9-diazabicyclo[3.3.2]decane-3,3-dione
CAS No: 1690364-50-1 Catalog No: AG01BG3G MDL No:MFCD28118823
Product Description
Catalog Number:
AG01BG3G
Chemical Name:
7-benzyl-3lambda6-thia-7,9-diazabicyclo[3.3.2]decane-3,3-dione
CAS Number:
1690364-50-1
Molecular Formula:
C14H20N2O2S
Molecular Weight:
280.3858
MDL Number:
MFCD28118823
IUPAC Name:
7-benzyl-3λ6-thia-7,9-diazabicyclo[3.3.2]decane 3,3-dioxide
InChI:
InChI=1S/C14H20N2O2S/c17-19(18)10-13-6-15-14(11-19)9-16(8-13)7-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2
InChI Key:
TUPRDPNYLAQEHT-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC2NCC(C1)CN(C2)Cc1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.386g/mol
Monoisotopic Mass:
280.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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