4'-Hydroxydesmethyldiazepam

C₁₅H₁₁ClN₂O₂CAS 17270-12-1286.71 g/mol

Open in Covalent MOL file

Amide Aryl halide Imine Lactam Phenol

Properties

Molecular formula: C₁₅H₁₁ClN₂O₂
Molar mass: 286.71 g/mol
Exact mass: 286.0509 Da
logP: 2.84Crippen estimate
Polar surface area: 61.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

17270-12-1

SMILES

C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)O

InChIKey

WVHIBVZUJQMFON-UHFFFAOYSA-N

InChI

InChI=1S/C15H11ClN2O2/c16-10-3-6-13-12(7-10)15(17-8-14(20)18-13)9-1-4-11(19)5-2-9/h1-7,19H,8H2,(H,18,20)

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Names and synonyms

1 names

2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(4-hydroxyphenyl)-

Work with 4'-Hydroxydesmethyldiazepam

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

5-Chlorooxindole17630-75-043 % similar 4-Chloro-4′-hydroxybenzophenone42019-78-340 % similar 5-Chloroisatin17630-76-140 % similar 5-Hydroxyoxindole3416-18-040 % similar Diazepam439-14-540 % similar 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone54197-66-938 % similar 4-Chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide41859-57-838 % similar 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione4547-02-838 % similar

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

Same formula

Oxazepam604-75-1 Demoxepam963-39-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook