Found 18 results

Search term: MF = 'C_{40}H_{51}N_{3}O_{4}'
ChemSpider 2D Image | 7-[4-(2-Butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide | C40H51N3O4

7-[4-(2-Butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide

  • Molecular FormulaC40H51N3O4
  • Average mass637.851 Da
  • Monoisotopic mass637.387939 Da
  • ChemSpider ID2278716

More details:

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

1H-1-Benzazepine-4-carboxamide, 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-2,3-dihydro-N-[4-[[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]- [ACD/Index Name]
7-[4-(2-Butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1H-1-benzazepin-4-carboxamid [German] [ACD/IUPAC Name]
7-[4-(2-Butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide [ACD/IUPAC Name]
7-[4-(2-Butoxyéthoxy)phényl]-1-(cyclopropylméthyl)-N-(4-{[méthyl(tétrahydro-2H-pyran-4-yl)amino]méthyl}phényl)-2,3-dihydro-1H-1-benzazépine-4-carboxamide [French] [ACD/IUPAC Name]

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

AIDS210592 [DBID]
AIDS-210592 [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: 808.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 442.9±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 188.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 254.58
ACD/KOC (pH 5.5): 314.95
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 14630.41
ACD/KOC (pH 7.4): 18099.42
Polar Surface Area: 63 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 536.2±5.0 cm3

Click to predict properties on the Chemicalize site


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