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Home > Other Heterocycles > 898757-72-7
898757-72-7 | 4'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-THIOMETHYL BENZOPHENONE
CAS No: 898757-72-7 Catalog No: AG00GXKQ MDL No:
Product Description
Catalog Number:
AG00GXKQ
Chemical Name:
4'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-THIOMETHYL BENZOPHENONE
CAS Number:
898757-72-7
IUPAC Name:
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
InChI:
InChI=1S/C22H25NO3S/c1-27-20-5-3-2-4-19(20)21(24)18-8-6-17(7-9-18)16-23-12-10-22(11-13-23)25-14-15-26-22/h2-9H,10-16H2,1H3
InChI Key:
NGNJUJWKXBEPRA-UHFFFAOYSA-N
Properties
Complexity:
490
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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