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SSTR5 antagonist 1 10mg

CAT: 0628-A20218-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A20218-10Size:10 mg
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CAS Number
1628741-91-2

Chemical Information

SSTR5 antagonist 1
CAS Number1628741-91-2
PubChem CID90423921
IUPAC Name1-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid
Molecular FormulaC28H34FN3O5
Molecular Weight511.6
XLogP1.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity790
SMILES
CCOC1=CC(=CC(=C1C2=CC=C(C=C2)F)OCC)CN3CC4(C3)CC(=NO4)N5CCC(CC5)C(=O)O
InChI
InChI=1S/C28H34FN3O5/c1-3-35-23-13-19(14-24(36-4-2)26(23)20-5-7-22(29)8-6-20)16-31-17-28(18-31)15-25(30-37-28)32-11-9-21(10-12-32)27(33)34/h5-8,13-14,21H,3-4,9-12,15-18H2,1-2H3,(H,33,34)
InChIKey
UQRAIIGEZLINAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SSTR5 antagonist 1
CAS: 1628741-91-2
CID: 90423921
Formula: C28H34FN3O5
MW: 511.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.6
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass511.24824936
Monoisotopic Mass511.24824936
Topological Polar Surface Area83.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity790
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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