ChemSpider 2D Image | 2-Methyl-2-propanyl 5-benzyl-9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate | C30H30Cl2N4O4

2-Methyl-2-propanyl 5-benzyl-9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate

  • Molecular FormulaC30H30Cl2N4O4
  • Average mass581.490 Da
  • Monoisotopic mass580.164429 Da
  • ChemSpider ID9723537

More details:

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

2H-Pyrido[4,3-b]indole-2-carboxylic acid, 9-[[(3,5-dichloro-4-pyridinyl)amino]carbonyl]-1,3,4,5-tetrahydro-6-methoxy-5-(phenylmethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-benzyl-9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-benzyl-9-[(3,5-dichlor-4-pyridinyl)carbamoyl]-6-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-carboxylat [German] [ACD/IUPAC Name]
5-Benzyl-9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-méthoxy-1,3,4,5-tétrahydro-2H-pyrido[4,3-b]indole-2-carboxylate de 2-méthyl-2-propanyle [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: 680.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.0±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 155.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 76150.85
ACD/KOC (pH 5.5): 108610.90
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 75737.02
ACD/KOC (pH 7.4): 108020.67
Polar Surface Area: 86 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 431.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement