ChemSpider 2D Image | nastorazepide | C29H36N4O5

nastorazepide

  • Molecular FormulaC29H36N4O5
  • Average mass520.620 Da
  • Monoisotopic mass520.268555 Da
  • ChemSpider ID8048298

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

209219-38-5 [RN]
3-({[(3R)-5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]carbamoyl}amino)benzoesäure [German] [ACD/IUPAC Name]
3-({[(3R)-5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]carbamoyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 3-({[(3R)-5-cyclohexyl-1-(3,3-diméthyl-2-oxobutyl)-2-oxo-2,3,4,5-tétrahydro-1H-1,5-benzodiazépin-3-yl]carbamoyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[[(3R)-5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2,3,4,5-tetrahydro-2-oxo-1H-1,5-benzodiazepin-3-yl]amino]carbonyl]amino]- [ACD/Index Name]
nastorazepida [Spanish] [INN]
nastorazepide [INN]
nastorazépide [French] [INN]
nastorazepidum [Latin] [INN]
R22TMY97SG
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10084 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cholecystokinin B Receptor MedChem Express HY-17617
      GPCR/G protein MedChem Express HY-17617
      GPCR/G protein; MedChem Express HY-17617
      Nastorazepide (Z-360) is a selective, orally available, 1,5-benzodiazepine-derivative gastrin/cholecystokinin 2 (CCK-2) receptor antagonist with potential antineoplastic activity. MedChem Express HY-17617

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

Density: 1.3±0.1 g/cm3
Boiling Point: 742.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.0±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 23.82
ACD/KOC (pH 5.5): 111.18
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.54
ACD/KOC (pH 7.4): 7.17
Polar Surface Area: 119 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 402.0±5.0 cm3

Click to predict properties on the Chemicalize site


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