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Sertindole-d4

CAT: 1596-AR-S10157-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S10157-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1794737-42-0
Synonyms
1- (2- (4- (5-chloro-1- (4-fluorophenyl) -1H-indol-3-yl) piperidin-1-yl) ethyl-1,1,2,2-d4) imidazolidin-2-one
Molecular Formula
C24H22D4ClFN4O
Molecular Weight
444.97
API Name
Sertindole

Chemical Information

Sertindole-d4
CAS Number1794737-42-0
PubChem CID71752186
IUPAC Name1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-1,1,2,2-tetradeuterioethyl]imidazolidin-2-one
Molecular FormulaC24H26ClFN4O
Molecular Weight445.0
XLogP4.1
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity623
SMILES
[2H]C([2H])(C([2H])([2H])N1CCNC1=O)N2CCC(CC2)C3=CN(C4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)F
InChI
InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)/i13D2,14D2
InChIKey
GZKLJWGUPQBVJQ-RYIWKTDQSA-N
Chemical Structure
2D Structure
2D structure of Sertindole-d4
CAS: 1794737-42-0
CID: 71752186
Formula: C24H26ClFN4O
MW: 445.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.0
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass444.2030243
Monoisotopic Mass444.2030243
Topological Polar Surface Area40.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity623
Isotope Atom Count4
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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