Found 3 results

Search term: JIIDXCQQSWFYCR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5bR)-4-Hydroxy-2-methoxy-5b,6,7,8-tetrahydro-10H,16H-pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-10,16-dione | C20H17N3O4

(5bR)-4-Hydroxy-2-methoxy-5b,6,7,8-tetrahydro-10H,16H-pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-10,16-dione

  • Molecular FormulaC20H17N3O4
  • Average mass363.367 Da
  • Monoisotopic mass363.121918 Da
  • ChemSpider ID74055325

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5bR)-4-Hydroxy-2-methoxy-5b,6,7,8-tetrahydro-10H,16H-pyrrolo[2,1-c]chinazolino[3,2-a][1,4]benzodiazepin-10,16-dion [German] [ACD/IUPAC Name]
(5bR)-4-Hydroxy-2-methoxy-5b,6,7,8-tetrahydro-10H,16H-pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-10,16-dione [ACD/IUPAC Name]
(5bR)-4-Hydroxy-2-méthoxy-5b,6,7,8-tétrahydro-10H,16H-pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazépine-10,16-dione [French] [ACD/IUPAC Name]
10H,16H-Pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-10,16-dione, 5b,6,7,8-tetrahydro-4-hydroxy-2-methoxy-, (5bR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 654.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 349.8±34.3 °C
Index of Refraction: 1.757
Molar Refractivity: 96.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.67
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.22
Polar Surface Area: 82 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 235.6±7.0 cm3

Click to predict properties on the Chemicalize site


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