ChemSpider 2D Image | (1aS,4S,6aR,7aS)-5-{(2S)-2-Cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide | C30H43N5O4

(1aS,4S,6aR,7aS)-5-{(2S)-2-Cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide

  • Molecular FormulaC30H43N5O4
  • Average mass537.693 Da
  • Monoisotopic mass537.331482 Da
  • ChemSpider ID30838522

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1aS,4S,6aR,7aS)-5-{(2S)-2-Cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazin-4-carboxamid [German] [ACD/IUPAC Name]
(1aS,4S,6aR,7aS)-5-{(2S)-2-Cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide [ACD/IUPAC Name]
(1aS,4S,6aR,7aS)-5-{(2S)-2-Cyclohexyl-2-[(N-méthyl-L-alanyl)amino]acétyl}-N-[(4R)-3,4-dihydro-2H-chromén-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide [French] [ACD/IUPAC Name]
1H-Cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide, 5-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]octahydro-, (1aS,4S,6aR,7aS)- [ACD/Index Name]
(4s,6ar,7as)-5-{(2s)-2-Cyclohexyl-2-[(N-Methyl-L-Alanyl)amino]acetyl}-N-[(4r)-3,4-Dihydro-2h-Chromen-4-Yl]octahydro-1h-Cyclopropa[4,5]pyrrolo[1,2-A]pyrazine-4-Carboxamide
1Y0

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

Density: 1.3±0.1 g/cm3
Boiling Point: 789.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 431.3±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.23
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 8.30
ACD/KOC (pH 7.4): 68.77
Polar Surface Area: 103 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 422.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement