Chemical Properties of 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 8-chloro-1-phenyl- (CAS 22316-55-8)

1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 8-chloro-1-phenyl-

InChI
InChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)
InChI Key
RRTVVRIFVKKTJK-UHFFFAOYSA-N
Formula
C15H11ClN2O2
SMILES
O=C1CC(=O)N(c2ccccc2)c2cc(Cl)ccc2N1
Molecular Weight1
286.71
CAS
22316-55-8
Other Names
  • 8-Chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
  • Desmethylclobazam
  • Norclobazam
  • Clofazin
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Physical Properties

Property Value Unit Source
ω 0.6642 Relay (1.0) Calculated Property
ΔfG° 81.42 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -88.52 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 111.98 kJ/mol Relay (1.0) Calculated Property
IE 7.84 eV Relay (1.0) Calculated Property
log10WS -4.11 Relay (1.0) Calculated Property
logPoct/wat 3.347 Crippen Calculated Property
McVol 199.170 ml/mol McGowan Calculated Property
Pc 3770.42 kPa Relay (1.0-beta) Calculated Property
Tboil 684.62 K Relay (1.0) Calculated Property
Tc 1053.85 K Relay (1.0) Calculated Property
Tfus 495.15 K Relay (1.0) Calculated Property
Vc 0.693 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Clobazam M (norhydroxy-), hydrolysis, acetlyated. Clobazam. Clobazam M (norhydroxymethoxy-), hydrolysis, acetylated. Metergoline. Erythromycin, ethyl carbonate. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. risperidone. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). ethyl eburnamenine-14-carboxylate. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1.

Find more compounds similar to 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 8-chloro-1-phenyl-.

Sources

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