ChemSpider 2D Image | 4-(Propionylamino)-N-{4-[(5,8,11-trimethyl-6-oxo-6,11-dihydro-5H-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl}benzamide | C30H29N7O3

4-(Propionylamino)-N-{4-[(5,8,11-trimethyl-6-oxo-6,11-dihydro-5H-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl}benzamide

  • Molecular FormulaC30H29N7O3
  • Average mass535.596 Da
  • Monoisotopic mass535.233215 Da
  • ChemSpider ID61716394

More details:

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

4-(Propionylamino)-N-{4-[(5,8,11-trimethyl-6-oxo-6,11-dihydro-5H-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl}benzamid [German] [ACD/IUPAC Name]
4-(Propionylamino)-N-{4-[(5,8,11-trimethyl-6-oxo-6,11-dihydro-5H-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl}benzamide [ACD/IUPAC Name]
4-(Propionylamino)-N-{4-[(5,8,11-triméthyl-6-oxo-6,11-dihydro-5H-pyrimido[4,5-b][1,4]benzodiazépin-2-yl)amino]phényl}benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[4-[(6,11-dihydro-5,8,11-trimethyl-6-oxo-5H-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]-4-[(1-oxopropyl)amino]- [ACD/Index Name]
2133001-88-2 [RN]
4-(Propanoylamino)-~{n}-[4-[(5,8,11-Trimethyl-6-Oxidanylidene-Pyrimido[4,5-B][1,4]benzodiazepin-2-Yl)amino]phenyl]benzamide
9YQ
Aurora kinase inhibitor-8
FMF-03-145-1

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 154.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 5.41
ACD/KOC (pH 5.5): 47.88
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 95.35
ACD/KOC (pH 7.4): 843.75
Polar Surface Area: 120 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 399.6±3.0 cm3

Click to predict properties on the Chemicalize site


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