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Home > Other Heterocycles > 898761-65-4
898761-65-4 | 3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-THIOMETHYL BENZOPHENONE
CAS No: 898761-65-4 Catalog No: AG00GW5Q MDL No:
Product Description
Catalog Number:
AG00GW5Q
Chemical Name:
3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-THIOMETHYL BENZOPHENONE
CAS Number:
898761-65-4
IUPAC Name:
[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
InChI:
InChI=1S/C22H25NO3S/c1-27-20-8-3-2-7-19(20)21(24)18-6-4-5-17(15-18)16-23-11-9-22(10-12-23)25-13-14-26-22/h2-8,15H,9-14,16H2,1H3
InChI Key:
NIKJXJVCGLHIHT-UHFFFAOYSA-N
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.156g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.506g/mol
Monoisotopic Mass:
383.156g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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