ChemSpider 2D Image | (2-Methoxyphenyl){4-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)benzyl]-1-piperazinyl}methanone | C32H29N7O2

(2-Methoxyphenyl){4-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)benzyl]-1-piperazinyl}methanone

  • Molecular FormulaC32H29N7O2
  • Average mass543.618 Da
  • Monoisotopic mass543.238281 Da
  • ChemSpider ID34954580

More details:

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

(2-Methoxyphenyl){4-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)benzyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
(2-Methoxyphenyl){4-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)benzyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
(2-Méthoxyphényl){4-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazépin-3-yl)benzyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (2-methoxyphenyl)[4-[[4-(9H-pyrido[2,3-b]-1,2,4-triazolo[4,3-d][1,4]benzodiazepin-3-yl)phenyl]methyl]-1-piperazinyl]- [ACD/Index Name]
US8541407, 138

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

Density: 1.4±0.1 g/cm3
Boiling Point: 823.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 452.0±37.1 °C
Index of Refraction: 1.719
Molar Refractivity: 158.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1091.72
ACD/KOC (pH 5.5): 4931.21
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1315.40
ACD/KOC (pH 7.4): 5941.56
Polar Surface Area: 88 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 401.3±7.0 cm3

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