ChemSpider 2D Image | (7S)-12-(4-Aminobutyl)-7-isobutyl-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | C28H30N4O

(7S)-12-(4-Aminobutyl)-7-isobutyl-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one

  • Molecular FormulaC28H30N4O
  • Average mass438.564 Da
  • Monoisotopic mass438.241974 Da
  • ChemSpider ID35034773

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7s)-12-(4-Aminobutyl)-7-(2-Methylpropyl)-6,7,12,13-Tetrahydro-5h-Indolo[2,3-A]pyrrolo[3,4-C]carbazol-5-One
(7S)-12-(4-Aminobutyl)-7-isobutyl-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-on [German] [ACD/IUPAC Name]
(7S)-12-(4-Aminobutyl)-7-isobutyl-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one [ACD/IUPAC Name]
(7S)-12-(4-Aminobutyl)-7-isobutyl-6,7,12,13-tétrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one [French] [ACD/IUPAC Name]
5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one, 12-(4-aminobutyl)-6,7,12,13-tetrahydro-7-(2-methylpropyl)-, (7S)- [ACD/Index Name]
29K

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.5±31.5 °C
Index of Refraction: 1.725
Molar Refractivity: 128.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 2.55
ACD/KOC (pH 5.5): 8.98
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 4.84
ACD/KOC (pH 7.4): 17.03
Polar Surface Area: 76 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 324.4±7.0 cm3

Click to predict properties on the Chemicalize site


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