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Homo sildenafil-d5

CAT: 0926-RYB71161-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-RYB71161-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1216711-61-3
Smiles
CCCC1=NN (C2=C1NC (=NC2=O) C3=C (C=CC (=C3) S (=O) (=O) N4CCN (CC4) CC) OCC) C
Molecular Formula
C23H27D5N6O4S
Molecular Weight
493.63 g/mol
Controlled
No

Chemical Information

Homo Sildenafil-d5
CAS Number1216711-61-3
PubChem CID136219959
IUPAC Name5-[2-ethoxy-5-[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC23H32N6O4S
Molecular Weight493.6
XLogP1.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity854
SMILES
[2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)C3=NC4=C(C(=O)N3)N(N=C4CCC)C
InChI
InChI=1S/C23H32N6O4S/c1-5-8-18-20-21(27(4)26-18)23(30)25-22(24-20)17-15-16(9-10-19(17)33-7-3)34(31,32)29-13-11-28(6-2)12-14-29/h9-10,15H,5-8,11-14H2,1-4H3,(H,24,25,30)/i2D3,6D2
InChIKey
MJEXYQIZUOHDGY-QKLSXCJMSA-N
Chemical Structure
2D Structure
2D structure of Homo Sildenafil-d5
CAS: 1216711-61-3
CID: 136219959
Formula: C23H32N6O4S
MW: 493.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.6
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass493.25195843
Monoisotopic Mass493.25195843
Topological Polar Surface Area118 Ų
Heavy Atom Count34
Formal Charge0
Complexity854
Isotope Atom Count5
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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