chempirical

o-Desethyl sildenafil

C20H26N6O4SCAS 139755-91-2446.53 g/mol

Open in Covalent MOL file
NNNHNOSOONNOH
PhenolSulfonamideTertiary amine

Properties

Molecular formula
C20H26N6O4S
Molar mass
446.53 g/mol
Exact mass
446.1736 Da
logP
0.92Crippen estimate
Polar surface area
124.4 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
5

Identifiers

CAS number
139755-91-2
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)O)C
InChIKey
LTNJUPYNXDNXBO-UHFFFAOYSA-N
InChI
InChI=1S/C20H26N6O4S/c1-4-5-15-17-18(25(3)23-15)20(28)22-19(21-17)14-12-13(6-7-16(14)27)31(29,30)26-10-8-24(2)9-11-26/h6-7,12,27H,4-5,8-11H2,1-3H3,(H,21,22,28)

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Names and synonyms

1 names
  • Desethyl sildenafil

Work with o-Desethyl sildenafil

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sildenafil139755-83-277 % similar Sildenafil citrate171599-83-063 % similar Aildenafil496835-35-958 % similar 5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-D]pyrimidin-7-one139756-22-253 % similar Udenafil268203-93-649 % similar Acetildenafil831217-01-744 % similar Vardenafil224785-90-435 % similar Pseudovardenafil224788-34-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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