ChemSpider 2D Image | Daglutril | C31H38N2O6

Daglutril

  • Molecular FormulaC31H38N2O6
  • Average mass534.643 Da
  • Monoisotopic mass534.273010 Da
  • ChemSpider ID2302069

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(3S)-3-[({1-[(2R)-2-(Ethoxycarbonyl)-4-phenylbutyl]cyclopentyl}carbonyl)amino]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}acetic acid [ACD/IUPAC Name]
{(3S)-3-[({1-[(2R)-2-(Ethoxycarbonyl)-4-phenylbutyl]cyclopentyl}carbonyl)amino]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}essigsäure [German] [ACD/IUPAC Name]
182821-27-8 [RN]
1H-1-Benzazepine-1-acetic acid, 3-[[[1-[(2R)-2-(ethoxycarbonyl)-4-phenylbutyl]cyclopentyl]carbonyl]amino]-2,3,4,5-tetrahydro-2-oxo-, (3S)- [ACD/Index Name]
Acide {(3S)-3-[({1-[(2R)-2-(éthoxycarbonyl)-4-phénylbutyl]cyclopentyl}carbonyl)amino]-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl}acétique [French] [ACD/IUPAC Name]
daglutril [French] [INN]
Daglutril [INN]
daglutrilo [Spanish] [INN]
daglutrilum [Latin] [INN]
KKV299446X
More...

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

8351 [DBID]
SLV-306 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 802.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 439.0±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 13.04
ACD/KOC (pH 5.5): 53.31
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.02
Polar Surface Area: 113 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 426.8±5.0 cm3

Click to predict properties on the Chemicalize site


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