AF-710B

CAT: 0127-BUP03219-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03219-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1235733-73-9

Synonyms

ANAVEX 3-71, AF 710B, AF710B

Purity

=98%

Smiles

O=C(N1CC2(SC1C)CCN(C)CC2)CCC3=CNC=4C=CC=CC43

Chemical Information

AF-710B

CAS Number	1235733-73-9
PubChem CID	58516166
IUPAC Name	1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-3-(1H-indol-3-yl)propan-1-one
Molecular Formula	C20H27N3OS
Molecular Weight	357.5
XLogP	3.1
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	491

SMILES

CC1N(CC2(S1)CCN(CC2)C)C(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H27N3OS/c1-15-23(14-20(25-15)9-11-22(2)12-10-20)19(24)8-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13,15,21H,7-12,14H2,1-2H3

InChIKey

XWMHYQATSBWUNT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1235733-73-9

CID: 58516166

Formula: C20H27N3OS

MW: 357.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	357.5
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	357.18748367
Monoisotopic Mass	357.18748367
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	491
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes