ChemSpider 2D Image | 10-sec-Butyl-6-(N,N-dimethylleucyltryptophyl)-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.0~3,7~]nonadeca-1(17),13,15,18-tetraene | C38H50N6O5

10-sec-Butyl-6-(N,N-dimethylleucyltryptophyl)-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraene

  • Molecular FormulaC38H50N6O5
  • Average mass670.841 Da
  • Monoisotopic mass670.384277 Da
  • ChemSpider ID4513269

  • Double-bond stereo - Double-bond stereo

More details:

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

10-sec-Butyl-6-(N,N-dimethylleucyltryptophyl)-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraen [German] [ACD/IUPAC Name]
10-sec-Butyl-6-(N,N-dimethylleucyltryptophyl)-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraene [ACD/IUPAC Name]
10-sec-Butyl-6-(N,N-diméthylleucyltryptophyl)-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadéca-1(17),13,15,18-tétraène [French] [ACD/IUPAC Name]
Pentanamide, 2-(dimethylamino)-N-[1-(1H-indol-3-ylmethyl)-2-[3,3a,11,12,13,14,15,15a-octahydro-13-(1-methylpropyl)-12,15-dioxo-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]-2-oxoeth yl]-4-methyl- [ACD/Index Name]
Amphibine E
Pentanamide, 2-(dimethylamino)-N-[1-(1H-indol-3-ylmethyl)-2-[3,3a,11,12,13,14,15,15a-octahydro-13-(1-methylpropyl)-12,15-dioxo-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]-2-oxoethyl]-4-methyl-

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

NSC219851 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 963.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.4±3.0 kJ/mol
Flash Point: 536.3±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 189.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 7.39
ACD/KOC (pH 5.5): 39.04
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 317.05
ACD/KOC (pH 7.4): 1675.11
Polar Surface Area: 136 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 573.3±3.0 cm3

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