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FT206

CAT: 0926-DRD27434-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-DRD27434-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2278274-34-1
Smiles
CC1=NC2=C (C=C1) C (=C (S2) C (=O) NC3CCC4=C (C3) C=CC (=C4) N5CC6CCC (C5) N6) N
Molecular Formula
C25H29N5OS
Molecular Weight
447.6 g/mol
Controlled
No

Chemical Information

CID 137480383
CAS Number2278274-34-1
PubChem CID137480383
IUPAC Name3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
Molecular FormulaC25H29N5OS
Molecular Weight447.6
XLogP4.6
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity696
SMILES
CC1=NC2=C(C=C1)C(=C(S2)C(=O)N[C@H]3CCC4=C(C3)C=CC(=C4)N5CC6CCC(C5)N6)N
InChI
InChI=1S/C25H29N5OS/c1-14-2-9-21-22(26)23(32-25(21)27-14)24(31)29-17-5-3-16-11-20(8-4-15(16)10-17)30-12-18-6-7-19(13-30)28-18/h2,4,8-9,11,17-19,28H,3,5-7,10,12-13,26H2,1H3,(H,29,31)/t17-,18?,19?/m0/s1
InChIKey
UZKKSCQGVUDMFY-VIQWUECVSA-N
Chemical Structure
2D Structure
2D structure of CID 137480383
CAS: 2278274-34-1
CID: 137480383
Formula: C25H29N5OS
MW: 447.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.6
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass447.20928174
Monoisotopic Mass447.20928174
Topological Polar Surface Area112 Ų
Heavy Atom Count32
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-138698-01FT206

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