ChemSpider 2D Image | N-(3-Aminopropyl)-N-[(R)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamide | C28H30ClN5O2

N-(3-Aminopropyl)-N-[(R)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamide

  • Molecular FormulaC28H30ClN5O2
  • Average mass504.023 Da
  • Monoisotopic mass503.208801 Da
  • ChemSpider ID10015410

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-(3-aminopropyl)-N-[(R)-[5-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropylmethyl]-4-methyl- [ACD/Index Name]
N-(3-Aminopropyl)-N-[(R)-(3-benzyl-5-chlor-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamid [German] [ACD/IUPAC Name]
N-(3-Aminopropyl)-N-[(R)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamide [ACD/IUPAC Name]
N-(3-Aminopropyl)-N-[(R)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)méthyl]-4-méthylbenzamide [French] [ACD/IUPAC Name]
2AZ

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

Density: 1.3±0.1 g/cm3
Boiling Point: 716.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.2±35.7 °C
Index of Refraction: 1.676
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.96
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 13.63
Polar Surface Area: 84 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 377.1±7.0 cm3

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