ChemSpider 2D Image | 13-Cyclohexyl-3-Methoxy-17,22-Dimethyl-7h-10,6-(Methanoiminothioiminobutanoiminomethano)indolo[2,1-A][2]benzazepine-14,23-Dione 16,16-Dioxide | C32H38N4O5S

13-Cyclohexyl-3-Methoxy-17,22-Dimethyl-7h-10,6-(Methanoiminothioiminobutanoiminomethano)indolo[2,1-A][2]benzazepine-14,23-Dione 16,16-Dioxide

  • Molecular FormulaC32H38N4O5S
  • Average mass590.733 Da
  • Monoisotopic mass590.256287 Da
  • ChemSpider ID28522462

More details:

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

10,6-(Methanoiminothioiminobutanoiminomethano)-7H-indolo[2,1-a][2]benzazepine-14,23-dione, 13-cyclohexyl-3-methoxy-17,22-dimethyl-, 16,16-dioxide [ACD/Index Name]
13-Cyclohexyl-3-Methoxy-17,22-Dimethyl-7h-10,6-(Methanoiminothioiminobutanoiminomethano)indolo[2,1-A][2]benzazepine-14,23-Dione 16,16-Dioxide
27-Cyclohexyl-21-methoxy-10,15-dimethyl-9-thia-1,8,10,15-tetraazapentacyclo[15.8.1.12,6.13,25.019,24]octacosa-2(28),3,5,17,19,21,23,25(27)-octaen-7,16-dion-9,9-dioxid [German] [ACD/IUPAC Name]
27-Cyclohexyl-21-methoxy-10,15-dimethyl-9-thia-1,8,10,15-tetraazapentacyclo[15.8.1.12,6.13,25.019,24]octacosa-2(28),3,5,17,19,21,23,25(27)-octaene-7,16-dione 9,9-dioxide [ACD/IUPAC Name]
9,9-Dioxyde de 27-cyclohexyl-21-méthoxy-10,15-diméthyl-9-thia-1,8,10,15-tétraazapentacyclo[15.8.1.12,6.13,25.019,24]octacosa-2(28),3,5,17,19,21,23,25(27)-octaène-7,16-dione [French] [ACD/IUPAC Name]
0LN

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: 1.674
Molar Refractivity: 161.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 485.79
ACD/KOC (pH 5.5): 2260.32
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 21.79
ACD/KOC (pH 7.4): 101.38
Polar Surface Area: 109 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 431.5±7.0 cm3

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