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Home > Other Heterocycles > 83131-01-5
83131-01-5 | N-(8-BENZYL-8-AZABICYCLO[3.2.1]OCT-3-YL)-5-ETHYLSULFANYL-2,3-DIMETHOXY-BENZAMIDE; OXALIC ACID
CAS No: 83131-01-5 Catalog No: AG0059O6 MDL No:
Product Description
Catalog Number:
AG0059O6
Chemical Name:
N-(8-BENZYL-8-AZABICYCLO[3.2.1]OCT-3-YL)-5-ETHYLSULFANYL-2,3-DIMETHOXY-BENZAMIDE; OXALIC ACID
CAS Number:
83131-01-5
Molecular Formula:
C27H34N2O7S
Molecular Weight:
530.6331
IUPAC Name:
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-ethylsulfanyl-2,3-dimethoxybenzamide;oxalic acid
InChI:
InChI=1S/C25H32N2O3S.C2H2O4/c1-4-31-21-14-22(24(30-3)23(15-21)29-2)25(28)26-18-12-19-10-11-20(13-18)27(19)16-17-8-6-5-7-9-17;3-1(4)2(5)6/h5-9,14-15,18-20H,4,10-13,16H2,1-3H3,(H,26,28);(H,3,4)(H,5,6)
InChI Key:
RLKJUTOUVWCAIJ-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCSc1cc(OC)c(c(c1)C(=O)NC1CC2CCC(C1)N2Cc1ccccc1)OC
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.209g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
530.636g/mol
Monoisotopic Mass:
530.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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