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Pseudo Vardenafil

CAT: 0024-sc-212602Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-212602Size:5 mg
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CAS Number
224788-34-5

Chemical Information

Pseudovardenafil

structure in first source

CAS Number224788-34-5
PubChem CID135565220
IUPAC Name2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
Molecular FormulaC22H29N5O4S
Molecular Weight459.6
XLogP3.1
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity808
SMILES
CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OCC)C
InChI
InChI=1S/C22H29N5O4S/c1-4-9-19-23-15(3)20-22(28)24-21(25-27(19)20)17-14-16(10-11-18(17)31-5-2)32(29,30)26-12-7-6-8-13-26/h10-11,14H,4-9,12-13H2,1-3H3,(H,24,25,28)
InChIKey
QAYHPAMSDMZXJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pseudovardenafil
CAS: 224788-34-5
CID: 135565220
Formula: C22H29N5O4S
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass459.19402560
Monoisotopic Mass459.19402560
Topological Polar Surface Area114 Ų
Heavy Atom Count32
Formal Charge0
Complexity808
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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