ChemSpider 2D Image | (5E)-8-[4-(2-Butoxyethoxy)phenyl]-1-isobutyl-N-{4-[(1-propyl-1H-imidazol-5-yl)acetyl]phenyl}-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide | C42H52N4O4

(5E)-8-[4-(2-Butoxyethoxy)phenyl]-1-isobutyl-N-{4-[(1-propyl-1H-imidazol-5-yl)acetyl]phenyl}-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide

  • Molecular FormulaC42H52N4O4
  • Average mass676.887 Da
  • Monoisotopic mass676.398865 Da
  • ChemSpider ID84393696

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-8-[4-(2-Butoxyethoxy)phenyl]-1-isobutyl-N-{4-[(1-propyl-1H-imidazol-5-yl)acetyl]phenyl}-1,2,3,4-tetrahydro-1-benzazocin-5-carboxamid [German] [ACD/IUPAC Name]
(5E)-8-[4-(2-Butoxyethoxy)phenyl]-1-isobutyl-N-{4-[(1-propyl-1H-imidazol-5-yl)acetyl]phenyl}-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide [ACD/IUPAC Name]
(5E)-8-[4-(2-Butoxyéthoxy)phényl]-1-isobutyl-N-{4-[2-(1-propyl-1H-imidazol-5-yl)acétyl]phényl}-1,2,3,4-tétrahydro-1-benzazocine-5-carboxamide [French] [ACD/IUPAC Name]
1-Benzazocine-5-carboxamide, 8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-N-[4-[2-(1-propyl-1H-imidazol-5-yl)acetyl]phenyl]-, (5E)- [ACD/Index Name]
497223-25-3 [RN]
Cenicriviroc [INN] [USAN] [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 882.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.3±3.0 kJ/mol
Flash Point: 487.7±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 201.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.80
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 17294.70
ACD/KOC (pH 5.5): 16981.82
ACD/LogD (pH 7.4): 7.40
ACD/BCF (pH 7.4): 237770.64
ACD/KOC (pH 7.4): 233469.09
Polar Surface Area: 86 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 599.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement