2-Ethyl-9-methyl-4-phenyl-6H-thieno[3,2-F][1,2,4]triazolo[4,3-A][1,4]diazepine

C₁₇H₁₆N₄SCAS 40054-73-7308.40 g/mol

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Properties

Molecular formula: C₁₇H₁₆N₄S
Molar mass: 308.40 g/mol
Exact mass: 308.1096 Da
Melting point: 165–166 °C
logP: 3.55Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

40054-73-7

SMILES

CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1

InChIKey

JIOBORXCOGMHSV-UHFFFAOYSA-N

InChI

InChI=1S/C17H16N4S/c1-3-13-9-14-16(12-7-5-4-6-8-12)18-10-15-20-19-11(2)21(15)17(14)22-13/h4-9H,3,10H2,1-2H3

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Names and synonyms

1 names

6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 2-ethyl-9-methyl-4-phenyl-

Work with 2-Ethyl-9-methyl-4-phenyl-6H-thieno[3,2-F][1,2,4]triazolo[4,3-A][1,4]diazepine

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

Alprazolam28981-97-754 % similar 8-Bromo-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-A][1,4]benzodiazepine71368-80-454 % similar 4-(2-Chlorophenyl)-2-ethyl-6H-thieno[3,2-F][1,2,4]triazolo[4,3-A][1,4]diazepine40054-68-050 % similar Triazolam28911-01-543 % similar 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-A][1,4]benzodiazepine28910-91-042 % similar 8-Bromo-1-methyl-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-A][1,4]benzodiazepine39243-02-241 % similar Estazolam29975-16-436 % similar Midazolam59467-70-830 % similar

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

Elsewhere

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