ChemSpider 2D Image | N-[2-(1H-Imidazol-4-yl)ethyl]-3-(3-methoxypropyl)-6,19-dioxo-21-oxa-5,14,15,18-tetraazatetracyclo[20.3.1.0~7,15~.0~8,13~]hexacosa-1(26),7,9,11,13,22,24-heptaene-3-carboxamide | C31H37N7O5

N-[2-(1H-Imidazol-4-yl)ethyl]-3-(3-methoxypropyl)-6,19-dioxo-21-oxa-5,14,15,18-tetraazatetracyclo[20.3.1.07,15.08,13]hexacosa-1(26),7,9,11,13,22,24-heptaene-3-carboxamide

  • Molecular FormulaC31H37N7O5
  • Average mass587.669 Da
  • Monoisotopic mass587.285645 Da
  • ChemSpider ID81377805

More details:

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

1H-6,10-Metheno-12H-[1,4,7,10]oxatriazacyclooctadecino[7,8-b]indazole-4-carboxamide, 2,3,4,5,13,14,15,16-octahydro-N-[2-(1H-imidazol-4-yl)ethyl]-4-(3-methoxypropyl)-1,13-dioxo- [ACD/Index Name]
N-[2-(1H-Imidazol-4-yl)ethyl]-3-(3-methoxypropyl)-6,19-dioxo-21-oxa-5,14,15,18-tetraazatetracyclo[20.3.1.07,15.08,13]hexacosa-1(26),7,9,11,13,22,24-heptaen-3-carboxamid [German] [ACD/IUPAC Name]
N-[2-(1H-Imidazol-4-yl)ethyl]-3-(3-methoxypropyl)-6,19-dioxo-21-oxa-5,14,15,18-tetraazatetracyclo[20.3.1.07,15.08,13]hexacosa-1(26),7,9,11,13,22,24-heptaene-3-carboxamide [ACD/IUPAC Name]
N-[2-(1H-Imidazol-4-yl)éthyl]-3-(3-méthoxypropyl)-6,19-dioxo-21-oxa-5,14,15,18-tétraazatétracyclo[20.3.1.07,15.08,13]hexacosa-1(26),7,9,11,13,22,24-heptaène-3-carboxamide [French] [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: 1020.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.3±3.0 kJ/mol
Flash Point: 571.0±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 160.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.47
ACD/KOC (pH 7.4): 54.51
Polar Surface Area: 152 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 436.4±7.0 cm3

Click to predict properties on the Chemicalize site


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