ChemSpider 2D Image | 3-Chloro-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]benzenesulfonamide | C28H29ClN4O4S

3-Chloro-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]benzenesulfonamide

  • Molecular FormulaC28H29ClN4O4S
  • Average mass553.072 Da
  • Monoisotopic mass552.159790 Da
  • ChemSpider ID3730450

More details:

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

3-Chlor-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]benzolsulfonamid [German] [ACD/IUPAC Name]
3-Chloro-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]benzenesulfonamide [ACD/IUPAC Name]
3-Chloro-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)-5-(1-pyrrolidinylcarbonyl)phényl]benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 3-chloro-N-[5-(1-pyrrolidinylcarbonyl)-2-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]- [ACD/Index Name]

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

EU-0030481 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 824.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 452.4±37.1 °C
Index of Refraction: 1.715
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.86
ACD/KOC (pH 5.5): 537.94
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 42.77
ACD/KOC (pH 7.4): 501.71
Polar Surface Area: 98 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 372.0±5.0 cm3

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