ChemSpider 2D Image | (R)-mozavaptan | C27H29N3O2

(R)-mozavaptan

  • Molecular FormulaC27H29N3O2
  • Average mass427.538 Da
  • Monoisotopic mass427.225983 Da
  • ChemSpider ID34988933

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-mozavaptan
157378-42-2 [RN]
Benzamide, N-[4-[[(5R)-5-(dimethylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl]phenyl]-2-methyl- [ACD/Index Name]
N-(4-{[(5R)-5-(Dimethylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}phenyl)-2-methylbenzamid [German] [ACD/IUPAC Name]
N-(4-{[(5R)-5-(Dimethylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}phenyl)-2-methylbenzamide [ACD/IUPAC Name]
N-(4-{[(5R)-5-(Diméthylamino)-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl]carbonyl}phényl)-2-méthylbenzamide [French] [ACD/IUPAC Name]
137975-06-5 [RN]
Mozavaptan [INN] [Wiki]
MOZAVAPTAN, (R)-
N-[4-[(5S)-5-dimethylamino2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SXV5NAL92I [DBID]
UNII:SXV5NAL92I [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 543.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.2±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 127.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.64
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 31.29
ACD/KOC (pH 7.4): 207.12
Polar Surface Area: 53 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 350.7±5.0 cm3

Click to predict properties on the Chemicalize site


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