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Home > Other Heterocycles > 1690364-49-8
1690364-49-8 | 7-benzyl-3lambda6-thia-7,9-diazabicyclo[3.3.2]decane-3,3,10-trione
CAS No: 1690364-49-8 Catalog No: AG01BEHH MDL No:MFCD28064015
Product Description
Catalog Number:
AG01BEHH
Chemical Name:
7-benzyl-3lambda6-thia-7,9-diazabicyclo[3.3.2]decane-3,3,10-trione
CAS Number:
1690364-49-8
Molecular Formula:
C14H18N2O3S
Molecular Weight:
294.3693
MDL Number:
MFCD28064015
IUPAC Name:
7-benzyl-3,3-dioxo-3λ6-thia-7,9-diazabicyclo[3.3.2]decan-10-one
InChI:
InChI=1S/C14H18N2O3S/c17-14-12-7-16(6-11-4-2-1-3-5-11)8-13(15-14)10-20(18,19)9-12/h1-5,12-13H,6-10H2,(H,15,17)
InChI Key:
WWLFUORHYVLIQB-UHFFFAOYSA-N
SMILES:
O=C1NC2CN(CC1CS(=O)(=O)C2)Cc1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.369g/mol
Monoisotopic Mass:
294.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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