ChemSpider 2D Image | N~3~-(2,6-Dichlorobenzyl)-5-(4-{[(2r)-2-(Pyrrolidin-1-Ylmethyl)pyrrolidin-1-Yl]carbonyl}phenyl)pyrazine-2,3-Diamine | C27H30Cl2N6O

N3-(2,6-Dichlorobenzyl)-5-(4-{[(2r)-2-(Pyrrolidin-1-Ylmethyl)pyrrolidin-1-Yl]carbonyl}phenyl)pyrazine-2,3-Diamine

  • Molecular FormulaC27H30Cl2N6O
  • Average mass525.473 Da
  • Monoisotopic mass524.185791 Da
  • ChemSpider ID25061173

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4-{5-Amino-6-[(2,6-dichlorbenzyl)amino]-2-pyrazinyl}phenyl)[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
(4-{5-Amino-6-[(2,6-dichlorobenzyl)amino]-2-pyrazinyl}phenyl)[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone [ACD/IUPAC Name]
(4-{5-Amino-6-[(2,6-dichlorobenzyl)amino]-2-pyrazinyl}phényl)[(2R)-2-(1-pyrrolidinylméthyl)-1-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[5-amino-6-[[(2,6-dichlorophenyl)methyl]amino]-2-pyrazinyl]phenyl][(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]- [ACD/Index Name]
N3-(2,6-Dichlorobenzyl)-5-(4-{[(2r)-2-(Pyrrolidin-1-Ylmethyl)pyrrolidin-1-Yl]carbonyl}phenyl)pyrazine-2,3-Diamine
BDY

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

Density: 1.4±0.1 g/cm3
Boiling Point: 703.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.3±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 145.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 2.56
ACD/KOC (pH 5.5): 9.64
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 49.12
ACD/KOC (pH 7.4): 185.03
Polar Surface Area: 87 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 388.3±3.0 cm3

Click to predict properties on the Chemicalize site


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