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WAY-639889

CAT: 0127-BUP01832-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP01832-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
432506-24-6
Purity
=98%
Smiles
O=C(NC1=CC=C2C(=C1)C=3C=CC=CC3N2CC)CN4CCN(C5=NC=CC=C5)CC4

Chemical Information

N-(9-Ethyl-9H-carbazol-3-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)acetamide
CAS Number432506-24-6
PubChem CID4879597
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
Molecular FormulaC25H27N5O
Molecular Weight413.5
XLogP3.7
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity607
SMILES
CCN1C2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C51
InChI
InChI=1S/C25H27N5O/c1-2-30-22-8-4-3-7-20(22)21-17-19(10-11-23(21)30)27-25(31)18-28-13-15-29(16-14-28)24-9-5-6-12-26-24/h3-12,17H,2,13-16,18H2,1H3,(H,27,31)
InChIKey
YWVNRIAMBOCBRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(9-Ethyl-9H-carbazol-3-yl)-2-(4-(pyridin-2-yl)piperazin-1-yl)acetamide
CAS: 432506-24-6
CID: 4879597
Formula: C25H27N5O
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass413.22156050
Monoisotopic Mass413.22156050
Topological Polar Surface Area53.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity607
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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