ChemSpider 2D Image | (16S)-5,5,9,14,16-Pentamethyl-7,15-dioxo-2,14,17-triazatetracyclo[16.3.1.0~2,10~.0~3,8~]docosa-1(22),3(8),9,18,20-pentaene-19-carboxamide | C25H32N4O3

(16S)-5,5,9,14,16-Pentamethyl-7,15-dioxo-2,14,17-triazatetracyclo[16.3.1.02,10.03,8]docosa-1(22),3(8),9,18,20-pentaene-19-carboxamide

  • Molecular FormulaC25H32N4O3
  • Average mass436.547 Da
  • Monoisotopic mass436.247437 Da
  • ChemSpider ID26325226

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(16S)-5,5,9,14,16-Pentamethyl-7,15-dioxo-2,14,17-triazatetracyclo[16.3.1.02,10.03,8]docosa-1(22),3(8),9,18,20-pentaen-19-carboxamid [German] [ACD/IUPAC Name]
(16S)-5,5,9,14,16-Pentamethyl-7,15-dioxo-2,14,17-triazatetracyclo[16.3.1.02,10.03,8]docosa-1(22),3(8),9,18,20-pentaene-19-carboxamide [ACD/IUPAC Name]
(16S)-5,5,9,14,16-Pentaméthyl-7,15-dioxo-2,14,17-triazatétracyclo[16.3.1.02,10.03,8]docosa-1(22),3(8),9,18,20-pentaène-19-carboxamide [French] [ACD/IUPAC Name]
(6s)-4,6,15,15,18-Pentamethyl-5,17-Dioxo-2,3,4,5,6,7,14,15,16,17-Decahydro-1h-12,8-(Metheno)[1,4,9]triazacyclotetradecino[9,8-A]indole-9-Carboxamide
1H-8,12-Metheno[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, 2,3,4,5,6,7,14,15,16,17-decahydro-4,6,15,15,18-pentamethyl-5,17-dioxo-, (6S)- [ACD/Index 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: 678.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.1±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 339.11
ACD/KOC (pH 5.5): 2253.28
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 339.13
ACD/KOC (pH 7.4): 2253.40
Polar Surface Area: 97 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 336.6±7.0 cm3

Click to predict properties on the Chemicalize site


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