Found 28 results

Search term: MF = 'C_{38}H_{36}N_{4}O_{3}'
ChemSpider 2D Image | (2'-Methoxy-2-methyl-4-biphenylyl)[3-{[2-(3-pyridinyl)-1-piperidinyl]carbonyl}-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-yl]methanone | C38H36N4O3

(2'-Methoxy-2-methyl-4-biphenylyl)[3-{[2-(3-pyridinyl)-1-piperidinyl]carbonyl}-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-yl]methanone

  • Molecular FormulaC38H36N4O3
  • Average mass596.717 Da
  • Monoisotopic mass596.278748 Da
  • ChemSpider ID8479533

More details:

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

(2'-Methoxy-2-methyl-4-biphenylyl)[3-{[2-(3-pyridinyl)-1-piperidinyl]carbonyl}-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-yl]methanon [German] [ACD/IUPAC Name]
(2'-Methoxy-2-methyl-4-biphenylyl)[3-{[2-(3-pyridinyl)-1-piperidinyl]carbonyl}-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-yl]methanone [ACD/IUPAC Name]
(2'-Méthoxy-2-méthyl-4-biphénylyl)[3-{[2-(3-pyridinyl)-1-pipéridinyl]carbonyl}-5H-pyrrolo[2,1-c][1,4]benzodiazépin-10(11H)-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [10,11-dihydro-10-[(2'-methoxy-2-methyl[1,1'-biphenyl]-4-yl)carbonyl]-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl][2-(3-pyridinyl)-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 807.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 442.1±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 177.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 4569.45
ACD/KOC (pH 5.5): 11957.53
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8892.30
ACD/KOC (pH 7.4): 23269.75
Polar Surface Area: 68 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 479.9±7.0 cm3

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