ChemSpider 2D Image | (3S,8aR)-2-{(2S)-2-Cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide | C30H45N5O3

(3S,8aR)-2-{(2S)-2-Cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide

  • Molecular FormulaC30H45N5O3
  • Average mass523.710 Da
  • Monoisotopic mass523.352234 Da
  • ChemSpider ID29399338

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,8aR)-2-{(2S)-2-Cyclohexyl-2-[(N-méthyl-L-alanyl)amino]acétyl}-N-[(1R)-1,2,3,4-tétrahydro-1-naphtalényl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide [French] [ACD/IUPAC Name]
(3S,8aR)-2-{(2S)-2-Cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide [ACD/IUPAC Name]
(3S,8aR)-2-{(2S)-2-Cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalinyl]octahydropyrrolo[1,2-a]pyrazin-3-carboxamid [German] [ACD/IUPAC Name]
(3s,8ar)-2-{(2s)-2-Cyclohexyl-2-[(N-Methyl-L-Alanyl)amino]acetyl}-N-[(1r)-1,2,3,4-Tetrahydronaphthalen-1-Yl]octahydropyrrolo[1,2-A]pyrazine-3-Carboxamide
Pyrrolo[1,2-a]pyrazine-3-carboxamide, 2-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]acetyl]octahydro-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]-, (3S,8aR)- [ACD/Index Name]
1BG

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

Density: 1.2±0.1 g/cm3
Boiling Point: 781.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.6±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.20
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 18.70
ACD/KOC (pH 7.4): 123.27
Polar Surface Area: 94 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 434.5±5.0 cm3

Click to predict properties on the Chemicalize site


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