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90886-09-2 | N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CAS No: 90886-09-2 Catalog No: AG01FFLS MDL No:
Product Description
Catalog Number:
AG01FFLS
Chemical Name:
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CAS Number:
90886-09-2
Molecular Formula:
C30H28BF4NO
Molecular Weight:
505.3540
IUPAC Name:
2-(2-methoxyethyl)-13-phenyl-2-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaene;tetrafluoroborate
InChI:
InChI=1S/C30H28NO.BF4/c1-32-20-19-31-29-24-13-7-5-9-21(24)15-17-26(29)28(23-11-3-2-4-12-23)27-18-16-22-10-6-8-14-25(22)30(27)31;2-1(3,4)5/h2-14H,15-20H2,1H3;/q+1;-1
InChI Key:
GFBSVAQYBICOLU-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.COCC[n+]1c2c(CCc3c2cccc3)c(c2c1c1ccccc1CC2)c1ccccc1
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.22g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
505.364g/mol
Monoisotopic Mass:
505.22g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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