ChemSpider 2D Image | (2R)-2-[4-(Dimethylamino)phenyl]-3-(3-ethoxyphenyl)-6-iodo-2,3-dihydro-4(1H)-quinazolinone | C24H24IN3O2

(2R)-2-[4-(Dimethylamino)phenyl]-3-(3-ethoxyphenyl)-6-iodo-2,3-dihydro-4(1H)-quinazolinone

  • Molecular FormulaC24H24IN3O2
  • Average mass513.371 Da
  • Monoisotopic mass513.091309 Da
  • ChemSpider ID1380498
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-[4-(Dimethylamino)phenyl]-3-(3-ethoxyphenyl)-6-iod-2,3-dihydro-4(1H)-chinazolinon [German] [ACD/IUPAC Name]
(2R)-2-[4-(Dimethylamino)phenyl]-3-(3-ethoxyphenyl)-6-iodo-2,3-dihydro-4(1H)-quinazolinone [ACD/IUPAC Name]
(2R)-2-[4-(Diméthylamino)phényl]-3-(3-éthoxyphényl)-6-iodo-2,3-dihydro-4(1H)-quinazolinone [French] [ACD/IUPAC Name]
4(1H)-Quinazolinone, 2-[4-(dimethylamino)phenyl]-3-(3-ethoxyphenyl)-2,3-dihydro-6-iodo-, (2R)- [ACD/Index Name]

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

ZINC02085449 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 657.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.4±31.5 °C
Index of Refraction: 1.657
Molar Refractivity: 128.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3165.15
ACD/KOC (pH 5.5): 10671.91
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3682.23
ACD/KOC (pH 7.4): 12415.33
Polar Surface Area: 45 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 348.8±3.0 cm3

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