ChemSpider 2D Image | (1S,12Z,22R)-17-Amino-7-chloro-10-(2-chlorophenyl)-22-phenyl-9-thia-2,10,19-triazatricyclo[17.3.1.1~4,8~]tetracosa-4(24),5,7,12-tetraene-3,18-dione 9,9-dioxide | C32H34Cl2N4O4S

(1S,12Z,22R)-17-Amino-7-chloro-10-(2-chlorophenyl)-22-phenyl-9-thia-2,10,19-triazatricyclo[17.3.1.14,8]tetracosa-4(24),5,7,12-tetraene-3,18-dione 9,9-dioxide

  • Molecular FormulaC32H34Cl2N4O4S
  • Average mass641.608 Da
  • Monoisotopic mass640.167786 Da
  • ChemSpider ID103744899

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,12Z,22R) 9,9-Dioxyde de 17-amino-7-chloro-10-(2-chlorophényl)-22-phényl-9-thia-2,10,19-triazatricyclo[17.3.1.14,8]tétracosa-4(24),5,7,12-tétraène-3,18-dione [French] [ACD/IUPAC Name]
(1S,12Z,22R)-17-Amino-7-chlor-10-(2-chlorphenyl)-22-phenyl-9-thia-2,10,19-triazatricyclo[17.3.1.14,8]tetracosa-4(24),5,7,12-tetraen-3,18-dion-9,9-dioxid [German] [ACD/IUPAC Name]
(1S,12Z,22R)-17-Amino-7-chloro-10-(2-chlorophenyl)-22-phenyl-9-thia-2,10,19-triazatricyclo[17.3.1.14,8]tetracosa-4(24),5,7,12-tetraene-3,18-dione 9,9-dioxide [ACD/IUPAC Name]
9-Thia-2,10,19-triazatricyclo[17.3.1.14,8]tetracosa-4,6,8(24),12-tetraene-3,18-dione, 17-amino-7-chloro-10-(2-chlorophenyl)-22-phenyl-, 9,9-dioxide, (1S,12Z,22R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 170.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.54
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 46.40
ACD/KOC (pH 7.4): 333.00
Polar Surface Area: 121 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 451.4±5.0 cm3

Click to predict properties on the Chemicalize site


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