chempirical

Sertaconazole

C20H15Cl3N2OSCAS 99592-32-2437.76 g/mol

Open in Covalent MOL file
ClNNOSClCl
Aryl halideEther

Properties

Molecular formula
C20H15Cl3N2OS
Molar mass
437.76 g/mol
Exact mass
435.9971 Da
Melting point
146–147 °C
logP
7.02Crippen estimate
Polar surface area
27.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
99592-32-2
SMILES
Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1
InChIKey
JLGKQTAYUIMGRK-UHFFFAOYSA-N
InChI
InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 1H-Imidazole, 1-[2-[(7-chlorobenzo[b]thien-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-
  • 1-[2-[(7-Chlorobenzo[b]thien-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
  • FI 7045

Work with Sertaconazole

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

Sertaconazole nitrate99592-39-982 % similar Miconazole22916-47-873 % similar Tioconazole65899-73-269 % similar Isoconazole27523-40-669 % similar Econazole27220-47-966 % similar Miconazole nitrate22832-87-760 % similar Fenticonazole72479-26-660 % similar Enilconazole35554-44-059 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook