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Propoxyphenyl Thiosildenafil

CAT: 1299-RM-S040640-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S040640-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
479073-87-5
Synonyms
1-methyl-5- (5- ((4-methylpiperazin-1-yl) sulfonyl) -2-propoxyphenyl) -3-propyl-1H-pyrazolo[4,3-d]pyrimidine-7 (4H) -thione
Molecular Formula
C23H32N6O3S2
Molecular Weight
504.67
Target Alternative Name
Sildenafil
Product Name Synonym
1-methyl-5- (5- ((4-methylpiperazin-1-yl) sulfonyl) -2-propoxyphenyl) -3-propyl-1H-pyrazolo[4,3-d]pyrimidine-7 (4H) -thione

Chemical Information

Propoxyphenyl thiosildenafil
CAS Number479073-87-5
PubChem CID10300865
IUPAC Name1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propyl-4H-pyrazolo[4,5-d]pyrimidine-7-thione
Molecular FormulaC23H32N6O3S2
Molecular Weight504.7
XLogP2.6
Topological Polar Surface Area133
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity855
SMILES
CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC)C
InChI
InChI=1S/C23H32N6O3S2/c1-5-7-18-20-21(28(4)26-18)23(33)25-22(24-20)17-15-16(8-9-19(17)32-14-6-2)34(30,31)29-12-10-27(3)11-13-29/h8-9,15H,5-7,10-14H2,1-4H3,(H,24,25,33)
InChIKey
FKEJNNYWAHHVDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propoxyphenyl thiosildenafil
CAS: 479073-87-5
CID: 10300865
Formula: C23H32N6O3S2
MW: 504.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.7
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass504.19773125
Monoisotopic Mass504.19773125
Topological Polar Surface Area133 Ų
Heavy Atom Count34
Formal Charge0
Complexity855
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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