ChemSpider 2D Image | IQM-97423 | C31H38N6O4

IQM-97423

  • Molecular FormulaC31H38N6O4
  • Average mass558.671 Da
  • Monoisotopic mass558.295471 Da
  • ChemSpider ID9932177

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Indole-3-propanamide, α-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-N-[(4aS,5R)-octahydro-1,3-dioxo-2-(phenylmethyl)-1H-pyrido[1,2-c]pyrimidin-5-yl]-, (αS)- [ACD/Index Name]
IQM-97423
N-[(4aS,5R)-2-Benzyl-1,3-dioxooctahydro-1H-pyrido[1,2-c]pyrimidin-5-yl]-Nα-[(2-methyl-2-propanyl)carbamoyl]-L-tryptophanamid [German] [ACD/IUPAC Name]
N-[(4aS,5R)-2-Benzyl-1,3-dioxooctahydro-1H-pyrido[1,2-c]pyrimidin-5-yl]-Nα-[(2-methyl-2-propanyl)carbamoyl]-L-tryptophanamide [ACD/IUPAC Name]
N-[(4aS,5R)-2-Benzyl-1,3-dioxooctahydro-1H-pyrido[1,2-c]pyrimidin-5-yl]-Nα-[(2-méthyl-2-propanyl)carbamoyl]-L-tryptophaneamide [French] [ACD/IUPAC Name]
(2S)-N-[(4aS,5R)-1,3-dioxo-2-(phenylmethyl)-4,4a,5,6,7,8-hexahydropyrido[2,1-f]pyrimidin-5-yl]-2-(tert-butylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
251361-82-7 [RN]
IQM-97,423

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.53
ACD/KOC (pH 5.5): 739.22
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.53
ACD/KOC (pH 7.4): 739.22
Polar Surface Area: 127 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 426.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement