ChemSpider 2D Image | N,1-Dimethyl-N-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)benzyl]-4-piperidinamine | C27H29N7

N,1-Dimethyl-N-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)benzyl]-4-piperidinamine

  • Molecular FormulaC27H29N7
  • Average mass451.566 Da
  • Monoisotopic mass451.248444 Da
  • ChemSpider ID34954534

More details:

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

4-Piperidinamine, N,1-dimethyl-N-[[4-(9H-pyrido[2,3-b]-1,2,4-triazolo[4,3-d][1,4]benzodiazepin-3-yl)phenyl]methyl]- [ACD/Index Name]
N,1-Dimethyl-N-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)benzyl]-4-piperidinamin [German] [ACD/IUPAC Name]
N,1-Dimethyl-N-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazepin-3-yl)benzyl]-4-piperidinamine [ACD/IUPAC Name]
N,1-Diméthyl-N-[4-(9H-pyrido[2,3-b][1,2,4]triazolo[4,3-d][1,4]benzodiazépin-3-yl)benzyl]-4-pipéridinamine [French] [ACD/IUPAC Name]
US8541407, 92

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

Density: 1.3±0.1 g/cm3
Boiling Point: 688.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.0±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 135.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 6.59
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 16.16
ACD/KOC (pH 7.4): 64.79
Polar Surface Area: 62 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 345.2±7.0 cm3

Click to predict properties on the Chemicalize site


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