Found 135 results

Search term: MF = 'C_{30}H_{27}BrN_{4}O_{3}'
ChemSpider 2D Image | N-(2-Bromo-3-oxospiro[3.5]non-1-en-1-yl)-4-(2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)-L-phenylalanine | C30H27BrN4O3

N-(2-Bromo-3-oxospiro[3.5]non-1-en-1-yl)-4-(2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)-L-phenylalanine

  • Molecular FormulaC30H27BrN4O3
  • Average mass571.464 Da
  • Monoisotopic mass570.126648 Da
  • ChemSpider ID23329334

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Phenylalanine, N-(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)-4-(2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)- [ACD/Index Name]
N-(2-Brom-3-oxospiro[3.5]non-1-en-1-yl)-4-(2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)-L-phenylalanin [German] [ACD/IUPAC Name]
N-(2-Bromo-3-oxospiro[3.5]non-1-en-1-yl)-4-(2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)-L-phenylalanine [ACD/IUPAC Name]
N-(2-Bromo-3-oxospiro[3.5]non-1-én-1-yl)-4-(2-phényl-3H-imidazo[4,5-b]pyridin-3-yl)-L-phénylalanine [French] [ACD/IUPAC Name]
(S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)-3-[4-(2-phenyl-imidazo[4,5-b]pyridin-3-yl)-phenyl]-propionic acid
CHEMBL516592
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL516592/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 771.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 420.2±35.7 °C
Index of Refraction: 1.719
Molar Refractivity: 149.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 2378.70
ACD/KOC (pH 5.5): 4194.85
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 38.62
ACD/KOC (pH 7.4): 68.10
Polar Surface Area: 97 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 378.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement