ChemSpider 2D Image | 6-Chloro-N-{2-oxo-1-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)ethyl]-3-piperidinyl}-2-naphthalenesulfonamide | C28H29ClN4O5S

6-Chloro-N-{2-oxo-1-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-3-piperidinyl}-2-naphthalenesulfonamide

  • Molecular FormulaC28H29ClN4O5S
  • Average mass569.072 Da
  • Monoisotopic mass568.154724 Da
  • ChemSpider ID26326854

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Naphthalenesulfonamide, 6-chloro-N-[2-oxo-1-[2-oxo-2-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]-3-piperidinyl]- [ACD/Index Name]
6-Chlor-N-{2-oxo-1-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-3-piperidinyl}-2-naphthalinsulfonamid [German] [ACD/IUPAC Name]
6-Chloro-N-((3s)-2-Oxo-1-(2-Oxo-2-((5s)-8-Oxo-5,6-Dihydro-1h-1,5-Methanopyrido[1,2-A][1,5]diazocin-3(2h,4h,8h)-Yl)ethyl)piperidin-3-Yl)naphthalene-2-Sulfonamide
6-Chloro-N-{2-oxo-1-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)éthyl]-3-pipéridinyl}-2-naphtalènesulfonamide [French] [ACD/IUPAC Name]
6-Chloro-N-{2-oxo-1-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-3-piperidinyl}-2-naphthalenesulfonamide [ACD/IUPAC Name]
FI1

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

Density: 1.5±0.1 g/cm3
Boiling Point: 889.2±75.0 °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: 491.6±37.1 °C
Index of Refraction: 1.717
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.21
ACD/KOC (pH 5.5): 340.63
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.93
ACD/KOC (pH 7.4): 336.66
Polar Surface Area: 115 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 376.8±5.0 cm3

Click to predict properties on the Chemicalize site


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