Found 1 result

Search term: XZQSPHYHBYGJPB-MRXNPFEDSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4R)-N-[3-(7-Methoxy-3,4-dihydro-1(2H)-quinolinyl)propyl]-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide | C24H30N4O3

(4R)-N-[3-(7-Methoxy-3,4-dihydro-1(2H)-quinolinyl)propyl]-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide

  • Molecular FormulaC24H30N4O3
  • Average mass422.520 Da
  • Monoisotopic mass422.231781 Da
  • ChemSpider ID129246300

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R)-N-[3-(7-Methoxy-3,4-dihydro-1(2H)-chinolinyl)propyl]-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-6-carboxamid [German] [ACD/IUPAC Name]
(4R)-N-[3-(7-Méthoxy-3,4-dihydro-1(2H)-quinoléinyl)propyl]-4-méthyl-2-oxo-2,3,4,5-tétrahydro-1H-1,5-benzodiazépine-6-carboxamide [French] [ACD/IUPAC Name]
(4R)-N-[3-(7-Methoxy-3,4-dihydro-1(2H)-quinolinyl)propyl]-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide [ACD/IUPAC Name]
1H-1,5-Benzodiazepine-6-carboxamide, N-[3-(3,4-dihydro-7-methoxy-1(2H)-quinolinyl)propyl]-2,3,4,5-tetrahydro-4-methyl-2-oxo-, (4R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 682.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.6±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 119.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 411.53
ACD/KOC (pH 5.5): 2249.98
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 668.20
ACD/KOC (pH 7.4): 3653.29
Polar Surface Area: 83 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 363.3±3.0 cm3

Click to predict properties on the Chemicalize site


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