Found 375 results

Search term: MF = 'C_{35}H_{31}N_{3}O_{4}'
ChemSpider 2D Image | N-(6-Chrysenyl)-4-{[(11aS)-7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}butanamide | C35H31N3O4

N-(6-Chrysenyl)-4-{[(11aS)-7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}butanamide

  • Molecular FormulaC35H31N3O4
  • Average mass557.638 Da
  • Monoisotopic mass557.231445 Da
  • ChemSpider ID23199858

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Butanamide, N-6-chrysenyl-4-[[(11aS)-2,3,5,11a-tetrahydro-7-methoxy-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]- [ACD/Index Name]
N-(6-Chrysenyl)-4-{[(11aS)-7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}butanamid [German] [ACD/IUPAC Name]
N-(6-Chrysenyl)-4-{[(11aS)-7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}butanamide [ACD/IUPAC Name]
N-(6-Chrysényl)-4-{[(11aS)-7-méthoxy-5-oxo-2,3,5,11a-tétrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazépin-8-yl]oxy}butanamide [French] [ACD/IUPAC Name]
N-(chrysen-6-yl)-4-{[(11aS)-7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}butanamide
N-Chrysen-6-yl-4-((S)-7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yloxy)-butyramide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 889.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 491.8±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 160.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13677.43
ACD/KOC (pH 5.5): 31749.52
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13721.58
ACD/KOC (pH 7.4): 31851.99
Polar Surface Area: 80 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 422.3±7.0 cm3

Click to predict properties on the Chemicalize site


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