ChemSpider 2D Image | OSIP339391 | C30H35N7O2

OSIP339391

  • Molecular FormulaC30H35N7O2
  • Average mass525.645 Da
  • Monoisotopic mass525.285217 Da
  • ChemSpider ID4470578

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

Acetamide, N-[2-[[2-phenyl-6-[[4-(3-phenylpropyl)-1-piperazinyl]carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]- [ACD/Index Name]
N-(2-(2-phenyl-6-(4-(3-phenylpropyl)piperazine-1-carbonyl)-7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)ethyl)acetamide
N-{2-[(2-Phenyl-6-{[4-(3-phenylpropyl)-1-piperazinyl]carbonyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}acetamid [German] [ACD/IUPAC Name]
N-{2-[(2-Phenyl-6-{[4-(3-phenylpropyl)-1-piperazinyl]carbonyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}acetamide [ACD/IUPAC Name]
N-{2-[(2-Phényl-6-{[4-(3-phénylpropyl)-1-pipérazinyl]carbonyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]éthyl}acétamide [French] [ACD/IUPAC Name]
OSIP339391
[3H]OSIP339391
748136-54-1 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485862/
N-[2-[[2-Phenyl-6-[4-(3-phenylpropyl)piperazine-1-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

OSIP-339391 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 759.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 413.2±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.96
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 22.97
ACD/KOC (pH 7.4): 298.34
Polar Surface Area: 106 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 419.5±3.0 cm3

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