ChemSpider 2D Image | ent-Ispinesib | C30H33ClN4O2

ent-Ispinesib

  • Molecular FormulaC30H33ClN4O2
  • Average mass517.062 Da
  • Monoisotopic mass516.229187 Da
  • ChemSpider ID29409763

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

336113-54-3 [RN]
Benzamide, N-(3-aminopropyl)-N-[(1S)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methyl- [ACD/Index Name]
ent-Ispinesib
N-(3-Aminopropyl)-N-[(1S)-1-(3-benzyl-7-chlor-4-oxo-3,4-dihydro-2-chinazolinyl)-2-methylpropyl]-4-methylbenzamid [German] [ACD/IUPAC Name]
N-(3-Aminopropyl)-N-[(1S)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)-2-methylpropyl]-4-methylbenzamide [ACD/IUPAC Name]
N-(3-Aminopropyl)-N-[(1S)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)-2-méthylpropyl]-4-méthylbenzamide [French] [ACD/IUPAC Name]
N-(3-Aminopropyl)-N-[(1S)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methylbenzamide
336113-53-2 [RN]
N-(3-Aminopropyl)-N-[(1R)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methylbenzamide
N-(3-AMINOPROPYL)-N-[(1S)-1-(3-BENZYL-7-CHLORO-4-OXOQUINAZOLIN-2-YL)-2-METHYLPROPYL]-4-METHYLBENZAMIDE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 708.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.0±35.7 °C
Index of Refraction: 1.619
Molar Refractivity: 149.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.59
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 11.53
ACD/KOC (pH 7.4): 56.13
Polar Surface Area: 79 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 425.2±7.0 cm3

Click to predict properties on the Chemicalize site


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