Metabolite N-Desmethyl sildenafil

Name
N-Desmethyl sildenafil
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 376.43
Monoisotopic: 376.120526314
Chemical Formula
C17H20N4O4S
InChI Key
VACAHCFUDUBDNR-UHFFFAOYSA-N
InChI
InChI=1S/C17H20N4O4S/c1-4-6-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-10(26(23)24)7-8-13(11)25-5-2/h7-9,26H,4-6H2,1-3H3,(H,18,19,22)
IUPAC Name
5-(2-ethoxy-5-sulfonylphenyl)-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one
SMILES
[H]N1C2=C(N(N=C2C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C(=O)N=C1C1=C(OC([H])([H])C([H])([H])[H])C([H])=C([H])C(=C1[H])S(=O)=O
Reactions
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.134 mg/mLALOGPS
logP1.51ALOGPS
logP1.87ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)5.3ChemAxon
pKa (Strongest Basic)-1.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area102.65 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity110.3 m3·mol-1ChemAxon
Polarizability39 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon