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SSTR5 antagonist 2 5mg

CAT: 0628-A18804-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A18804-5Size:5 mg
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CAS Number
1254730-81-8

Chemical Information

SSTR5 antagonist 2
CAS Number1254730-81-8
PubChem CID49800498
IUPAC Name4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
Molecular FormulaC32H35FN2O5
Molecular Weight546.6
XLogP2.8
Topological Polar Surface Area79.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity832
SMILES
CCOC1=CC(=CC(=C1C2=CC=C(C=C2)F)OCC)CN3CCC4(CC3)CC(=O)N(C4)C5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C32H35FN2O5/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38)
InChIKey
BLQCUVNVAODGCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SSTR5 antagonist 2
CAS: 1254730-81-8
CID: 49800498
Formula: C32H35FN2O5
MW: 546.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.6
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass546.25300038
Monoisotopic Mass546.25300038
Topological Polar Surface Area79.3 Ų
Heavy Atom Count40
Formal Charge0
Complexity832
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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