Quazepam

C₁₇H₁₁ClF₄N₂SCAS 36735-22-5386.79 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Imine

Properties

Molecular formula: C₁₇H₁₁ClF₄N₂S
Molar mass: 386.79 g/mol
Exact mass: 386.0268 Da
Melting point: 137.5–139 °C
logP: 5.03Crippen estimate
Polar surface area: 15.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

36735-22-5

SMILES

Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc21

InChIKey

IKMPWMZBZSAONZ-UHFFFAOYSA-N

InChI

InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2

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Names and synonyms

12 names

2H-1,4-Benzodiazepine-2-thione, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-
7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepine-2-thione
7-Chloro-1-(2,2,2-trifluoroethyl)-1,3-dihydro-5-(o-fluorophenyl)-2H-1,4-benzodiazepine-2-thione
7-Chloro-1-(2,2,2-trifluoroethyl)-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepine-2-thione
Sch 16134
Oniria
Selepam
Prosedar
Dormalin
Quazium
Doral
NSC 309702

Work with Quazepam

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

Flurazepam hydrochloride1172-18-551 % similar Desalkylflurazepam2886-65-949 % similar Chlorodiazepam2894-68-041 % similar 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-A][1,4]benzodiazepine28910-91-041 % similar Midazolam59467-70-839 % similar Diazepam439-14-537 % similar 2-Amino-5-chloro-2′-fluorobenzophenone784-38-335 % similar 2-Aminomethyl-7-chloro-2,3-dihydro-5-(2-fluorophenyl)-1H-1,4-benzodiazepine dimaleate59469-29-335 % similar

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

Elsewhere

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