ChemSpider 2D Image | (4S,5S,13Z)-9-Amino-5-benzyl-19-chloro-16-(4-chlorophenyl)-17-thia-3,7,16-triazatricyclo[16.3.1.1~4,7~]tricosa-1(22),13,18,20-tetraene-2,8-dione 17,17-dioxide | C32H34Cl2N4O4S

(4S,5S,13Z)-9-Amino-5-benzyl-19-chloro-16-(4-chlorophenyl)-17-thia-3,7,16-triazatricyclo[16.3.1.14,7]tricosa-1(22),13,18,20-tetraene-2,8-dione 17,17-dioxide

  • Molecular FormulaC32H34Cl2N4O4S
  • Average mass641.608 Da
  • Monoisotopic mass640.167786 Da
  • ChemSpider ID103740123

  • 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

(4S,5S,13Z) 17,17-Dioxyde de 9-amino-5-benzyl-19-chloro-16-(4-chlorophényl)-17-thia-3,7,16-triazatricyclo[16.3.1.14,7]tricosa-1(22),13,18,20-tétraène-2,8-dione [French] [ACD/IUPAC Name]
(4S,5S,13Z)-9-Amino-5-benzyl-19-chlor-16-(4-chlorphenyl)-17-thia-3,7,16-triazatricyclo[16.3.1.14,7]tricosa-1(22),13,18,20-tetraen-2,8-dion-17,17-dioxid [German] [ACD/IUPAC Name]
(4S,5S,13Z)-9-Amino-5-benzyl-19-chloro-16-(4-chlorophenyl)-17-thia-3,7,16-triazatricyclo[16.3.1.14,7]tricosa-1(22),13,18,20-tetraene-2,8-dione 17,17-dioxide [ACD/IUPAC Name]
17-Thia-3,7,16-triazatricyclo[16.3.1.14,7]tricosa-1(22),13,18,20-tetraene-2,8-dione, 9-amino-19-chloro-16-(4-chlorophenyl)-5-(phenylmethyl)-, 17,17-dioxide, (4S,5S,13Z)- [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: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 3.90
ACD/KOC (pH 5.5): 18.20
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 197.76
ACD/KOC (pH 7.4): 922.08
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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