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Home > Other Heterocycles > 1212215-80-9
1212215-80-9 | 6-Phenyl-8-(3-phenyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]oct-3-en-2-one
CAS No: 1212215-80-9 Catalog No: AG01F44V MDL No:
Product Description
Catalog Number:
AG01F44V
Chemical Name:
6-Phenyl-8-(3-phenyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]oct-3-en-2-one
CAS Number:
1212215-80-9
Molecular Formula:
C21H17N3OS
Molecular Weight:
359.4442
IUPAC Name:
6-phenyl-8-(3-phenyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]oct-3-en-2-one
InChI:
InChI=1S/C21H17N3OS/c25-19-12-11-17-16(14-7-3-1-4-8-14)13-18(19)24(17)21-22-20(23-26-21)15-9-5-2-6-10-15/h1-12,16-18H,13H2
InChI Key:
YAKQKWDHLWJBEK-UHFFFAOYSA-N
SMILES:
O=C1C=CC2N(C1CC2c1ccccc1)c1snc(n1)c1ccccc1
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.109g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.447g/mol
Monoisotopic Mass:
359.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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