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Home > Other Heterocycles > 82243-14-9
82243-14-9 | 4-Thia-1,2-diazaspiro[4.5]dec-2-ene, 3-(4-methoxyphenyl)-
CAS No: 82243-14-9 Catalog No: AG00500H MDL No:
Product Description
Catalog Number:
AG00500H
Chemical Name:
4-Thia-1,2-diazaspiro[4.5]dec-2-ene, 3-(4-methoxyphenyl)-
CAS Number:
82243-14-9
Molecular Formula:
C14H18N2OS
Molecular Weight:
262.3705
IUPAC Name:
2-(4-methoxyphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene
InChI:
InChI=1S/C14H18N2OS/c1-17-12-7-5-11(6-8-12)13-15-16-14(18-13)9-3-2-4-10-14/h5-8,16H,2-4,9-10H2,1H3
InChI Key:
KPKCVSAYDAJAGH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NNC2(S1)CCCCC2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.371g/mol
Monoisotopic Mass:
262.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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