Found 76 results

Search term: MF = 'C_{38}H_{41}N_{5}O_{5}'
ChemSpider 2D Image | (2E)-3-[4-({[1-Acetyl-3-({[3-cyclohexyl-1-methyl-2-(2-pyridinyl)-1H-indol-6-yl]carbonyl}amino)-3-piperidinyl]carbonyl}amino)phenyl]acrylic acid | C38H41N5O5

(2E)-3-[4-({[1-Acetyl-3-({[3-cyclohexyl-1-methyl-2-(2-pyridinyl)-1H-indol-6-yl]carbonyl}amino)-3-piperidinyl]carbonyl}amino)phenyl]acrylic acid

  • Molecular FormulaC38H41N5O5
  • Average mass647.763 Da
  • Monoisotopic mass647.310791 Da
  • ChemSpider ID26338194

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-({[1-Acetyl-3-({[3-cyclohexyl-1-methyl-2-(2-pyridinyl)-1H-indol-6-yl]carbonyl}amino)-3-piperidinyl]carbonyl}amino)phenyl]acrylic acid [ACD/IUPAC Name]
(2E)-3-[4-({[1-Acetyl-3-({[3-cyclohexyl-1-methyl-2-(2-pyridinyl)-1H-indol-6-yl]carbonyl}amino)-3-piperidinyl]carbonyl}amino)phenyl]acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[[[1-acetyl-3-[[[3-cyclohexyl-1-methyl-2-(2-pyridinyl)-1H-indol-6-yl]carbonyl]amino]-3-piperidinyl]carbonyl]amino]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[4-({[1-acétyl-3-({[3-cyclohexyl-1-méthyl-2-(2-pyridinyl)-1H-indol-6-yl]carbonyl}amino)-3-pipéridinyl]carbonyl}amino)phényl]acrylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 972.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.5±3.0 kJ/mol
Flash Point: 542.2±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 183.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 219.87
ACD/KOC (pH 5.5): 912.59
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 6.51
ACD/KOC (pH 7.4): 27.02
Polar Surface Area: 134 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 497.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement