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STS 135

CAT: 0926-FF99918-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FF99918-02Size:5 mg
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CAS Number
1354631-26-7
Synonyms
1- (5-Fluoropentyl) -N-tricyclo[3.3.1.1 (3,7) ]dec-1-yl-1H-indole-3-carboxamide
MDL Number
MFCD22628888
Smiles
C1C2CC3CC1CC (C2) (C3) NC (=O) C4=CN (C5=CC=CC=C54) CCCCCF
Molecular Formula
C24H31FN2O
Molecular Weight
382.51 g/mol
Controlled
Yes

Chemical Information

1-(5-Fluoropentyl)-N-tricyclo(3.3.1.13,7)dec-1-yl-1H-indole-3-carboxamide

STS-135 is an indolecarboxamide.

CAS Number1354631-26-7
PubChem CID57404059
IUPAC NameN-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide
Molecular FormulaC24H31FN2O
Molecular Weight382.5
XLogP5.3
Topological Polar Surface Area34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity538
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CN(C5=CC=CC=C54)CCCCCF
InChI
InChI=1S/C24H31FN2O/c25-8-4-1-5-9-27-16-21(20-6-2-3-7-22(20)27)23(28)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2,(H,26,28)
InChIKey
COYHGVCHRRXECF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(5-Fluoropentyl)-N-tricyclo(3.3.1.13,7)dec-1-yl-1H-indole-3-carboxamide
CAS: 1354631-26-7
CID: 57404059
Formula: C24H31FN2O
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass382.24204178
Monoisotopic Mass382.24204178
Topological Polar Surface Area34 Ų
Heavy Atom Count28
Formal Charge0
Complexity538
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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