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Home > Other Heterocycles > 114462-93-0
114462-93-0 | 1,2,4-Triazaspiro[4.5]decane-3-thione, 2,4-diphenyl-
CAS No: 114462-93-0 Catalog No: AG000EGY MDL No:
Product Description
Catalog Number:
AG000EGY
Chemical Name:
1,2,4-Triazaspiro[4.5]decane-3-thione, 2,4-diphenyl-
CAS Number:
114462-93-0
Molecular Formula:
C19H21N3S
Molecular Weight:
323.4551
IUPAC Name:
2,4-diphenyl-1,2,4-triazaspiro[4.5]decane-3-thione
InChI:
InChI=1S/C19H21N3S/c23-18-21(16-10-4-1-5-11-16)19(14-8-3-9-15-19)20-22(18)17-12-6-2-7-13-17/h1-2,4-7,10-13,20H,3,8-9,14-15H2
InChI Key:
WSTDVTURYGOTMR-UHFFFAOYSA-N
SMILES:
S=C1N(NC2(N1c1ccccc1)CCCCC2)c1ccccc1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.146g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.458g/mol
Monoisotopic Mass:
323.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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