ChemSpider 2D Image | Integerrine | C35H39N5O4

Integerrine

  • Molecular FormulaC35H39N5O4
  • Average mass593.715 Da
  • Monoisotopic mass593.300232 Da
  • ChemSpider ID4444911

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Butanamide, 2-(dimethylamino)-N-[(3R,4S,7S,10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methyl-, (2S)- [ACD/Index Name]
Integerrine
N-[(3R,4S,7S,10Z)-7-(1H-Indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N2,N2-dimethyl-L-valinamid [German] [ACD/IUPAC Name]
N-[(3R,4S,7S,10Z)-7-(1H-Indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N2,N2-dimethyl-L-valinamide [ACD/IUPAC Name]
N-[(3R,4S,7S,10Z)-7-(1H-Indol-3-ylméthyl)-5,8-dioxo-3-phényl-2-oxa-6,9-diazabicyclo[10.2.2]hexadéca-1(14),10,12,15-tétraén-4-yl]-N2,N2-diméthyl-L-valinamide [French] [ACD/IUPAC Name]
(S)-2-Dimethylamino-N-[(3R,4S,7S)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[
18397-13-2 [RN]

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

C10007 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 906.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±3.0 kJ/mol
Flash Point: 501.9±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 171.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 15.12
ACD/KOC (pH 5.5): 74.86
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 523.38
ACD/KOC (pH 7.4): 2590.79
Polar Surface Area: 116 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 467.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement