chempirical

Flubrotizolam

C15H10BrFN4SCAS 57801-95-3377.24 g/mol

Open in Covalent MOL file
NNNSBrNF
Aryl halideImine

Properties

Molecular formula
C15H10BrFN4S
Molar mass
377.24 g/mol
Exact mass
375.9794 Da
logP
3.89Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
57801-95-3
SMILES
CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4F
InChIKey
VOZDBDBHBXLWCG-UHFFFAOYSA-N
InChI
InChI=1S/C15H10BrFN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3

Weigh it out

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

Work with Flubrotizolam

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

Fluclotizolam54123-15-875 % similar 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine28910-91-058 % similar 2-Ethyl-9-methyl-4-phenyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine40054-73-755 % similar Bromazolam71368-80-447 % similar Triazolam28911-01-545 % similar Midazolam59467-70-844 % similar 8-Bromo-1-methyl-6-(2-pyridinyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine39243-02-243 % similar Alprazolam28981-97-742 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook