ChemSpider 2D Image | 27-Cyclohexyl-7-methoxy-2,13,18-trimethyl-10-oxa-19-thia-2,13,18,20-tetraazatetracyclo[20.3.1.1~3,25~.0~4,9~]heptacosa-1(26),3(27),4,6,8,22,24-heptaene-12,21-dione 19,19-dioxide | C31H40N4O6S

27-Cyclohexyl-7-methoxy-2,13,18-trimethyl-10-oxa-19-thia-2,13,18,20-tetraazatetracyclo[20.3.1.13,25.04,9]heptacosa-1(26),3(27),4,6,8,22,24-heptaene-12,21-dione 19,19-dioxide

  • Molecular FormulaC31H40N4O6S
  • Average mass596.737 Da
  • Monoisotopic mass596.266846 Da
  • ChemSpider ID28522814

More details:

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

13,17:16,19-Dimetheno-18H-1,10,4,9,11,18-benzoxathiatetraazacycloheneicosine-3,12(2H,11H)-dione, 24-cyclohexyl-4,5,6,7,8,9-hexahydro-22-methoxy-4,9,18-trimethyl-, 10,10-dioxide [ACD/Index Name]
19,19-Dioxyde de 27-cyclohexyl-7-méthoxy-2,13,18-triméthyl-10-oxa-19-thia-2,13,18,20-tétraazatétracyclo[20.3.1.13,25.04,9]heptacosa-1(26),3(27),4,6,8,22,24-heptaène-12,21-dione [French] [ACD/IUPAC Name]
27-Cyclohexyl-7-methoxy-2,13,18-trimethyl-10-oxa-19-thia-2,13,18,20-tetraazatetracyclo[20.3.1.13,25.04,9]heptacosa-1(26),3(27),4,6,8,22,24-heptaen-12,21-dion-19,19-dioxid [German] [ACD/IUPAC Name]
27-Cyclohexyl-7-methoxy-2,13,18-trimethyl-10-oxa-19-thia-2,13,18,20-tetraazatetracyclo[20.3.1.13,25.04,9]heptacosa-1(26),3(27),4,6,8,22,24-heptaene-12,21-dione 19,19-dioxide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 161.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 4.02
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 119 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 449.6±7.0 cm3

Click to predict properties on the Chemicalize site


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