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89232-74-6 | 4H-Thiopyran-4-amine, N-cyclohexyl-2,4,6-triphenyl-
CAS No: 89232-74-6 Catalog No: AG0043AR MDL No:
Product Description
Catalog Number:
AG0043AR
Chemical Name:
4H-Thiopyran-4-amine, N-cyclohexyl-2,4,6-triphenyl-
CAS Number:
89232-74-6
Molecular Formula:
C29H29NS
Molecular Weight:
423.6123
IUPAC Name:
N-cyclohexyl-2,4,6-triphenylthiopyran-4-amine
InChI:
InChI=1S/C29H29NS/c1-5-13-23(14-6-1)27-21-29(25-17-9-3-10-18-25,30-26-19-11-4-12-20-26)22-28(31-27)24-15-7-2-8-16-24/h1-3,5-10,13-18,21-22,26,30H,4,11-12,19-20H2
InChI Key:
JQABIQVJSUZFJM-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)NC1(C=C(SC(=C1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.202g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.618g/mol
Monoisotopic Mass:
423.202g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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