ChemSpider 2D Image | 1-[4-(Dimethylamino)-1-piperidinyl]-2-(1H-indazol-5-ylmethyl)-4-[4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinyl]-1,4-butanedione | C33H43N7O3

1-[4-(Dimethylamino)-1-piperidinyl]-2-(1H-indazol-5-ylmethyl)-4-[4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinyl]-1,4-butanedione

  • Molecular FormulaC33H43N7O3
  • Average mass585.740 Da
  • Monoisotopic mass585.342712 Da
  • ChemSpider ID9551651

More details:

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

1,4-Butanedione, 1-[4-(dimethylamino)-1-piperidinyl]-2-(1H-indazol-5-ylmethyl)-4-[4-(1,2,4,5-tetrahydro-2-oxo-3H-1,3-benzodiazepin-3-yl)-1-piperidinyl]- [ACD/Index Name]
1-[4-(Dimethylamino)-1-piperidinyl]-2-(1H-indazol-5-ylmethyl)-4-[4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinyl]-1,4-butandion [German] [ACD/IUPAC Name]
1-[4-(Dimethylamino)-1-piperidinyl]-2-(1H-indazol-5-ylmethyl)-4-[4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinyl]-1,4-butanedione [ACD/IUPAC Name]
1-[4-(Diméthylamino)-1-pipéridinyl]-2-(1H-indazol-5-ylméthyl)-4-[4-(2-oxo-1,2,4,5-tétrahydro-3H-1,3-benzodiazépin-3-yl)-1-pipéridinyl]-1,4-butanedione [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: 881.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 487.1±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 166.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.48
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 3.51
ACD/KOC (pH 7.4): 27.98
Polar Surface Area: 105 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 448.4±5.0 cm3

Click to predict properties on the Chemicalize site


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