ChemSpider 2D Image | (6S)-1-Chloro-5-(4-chlorophenyl)-6-[(2S)-2-pyrrolidinyl]-5,6-dihydropyrrolo[1,2-f]pteridine | C19H17Cl2N5

(6S)-1-Chloro-5-(4-chlorophenyl)-6-[(2S)-2-pyrrolidinyl]-5,6-dihydropyrrolo[1,2-f]pteridine

  • Molecular FormulaC19H17Cl2N5
  • Average mass386.278 Da
  • Monoisotopic mass385.086090 Da
  • ChemSpider ID30659316

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S)-1-Chlor-5-(4-chlorphenyl)-6-[(2S)-2-pyrrolidinyl]-5,6-dihydropyrrolo[1,2-f]pteridin [German] [ACD/IUPAC Name]
(6S)-1-Chloro-5-(4-chlorophenyl)-6-[(2S)-2-pyrrolidinyl]-5,6-dihydropyrrolo[1,2-f]pteridine [ACD/IUPAC Name]
(6S)-1-Chloro-5-(4-chlorophényl)-6-[(2S)-2-pyrrolidinyl]-5,6-dihydropyrrolo[1,2-f]ptéridine [French] [ACD/IUPAC Name]
Pyrrolo[1,2-f]pteridine, 1-chloro-5-(4-chlorophenyl)-5,6-dihydro-6-[(2S)-2-pyrrolidinyl]-, (6S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 604.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.4±31.5 °C
Index of Refraction: 1.767
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.07
Polar Surface Area: 46 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 250.1±7.0 cm3

Click to predict properties on the Chemicalize site


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