Found 1 result

Search term: LZQNJDQXSZXERV-LOSJGSFVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[(3S,4R)-1-Benzyl-4-(3-fluorophenyl)-3-pyrrolidinyl]-6-(1H-pyrazol-4-yl)-4(1H)-quinazolinone | C28H24FN5O

2-[(3S,4R)-1-Benzyl-4-(3-fluorophenyl)-3-pyrrolidinyl]-6-(1H-pyrazol-4-yl)-4(1H)-quinazolinone

  • Molecular FormulaC28H24FN5O
  • Average mass465.522 Da
  • Monoisotopic mass465.196503 Da
  • ChemSpider ID29419603

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(3S,4R)-1-Benzyl-4-(3-fluorophenyl)-3-pyrrolidinyl]-6-(1H-pyrazol-4-yl)-4(1H)-quinazolinone [ACD/IUPAC Name]
2-[(3S,4R)-1-Benzyl-4-(3-fluorophényl)-3-pyrrolidinyl]-6-(1H-pyrazol-4-yl)-4(1H)-quinazolinone [French] [ACD/IUPAC Name]
2-[(3S,4R)-1-Benzyl-4-(3-fluorphenyl)-3-pyrrolidinyl]-6-(1H-pyrazol-4-yl)-4(1H)-chinazolinon [German] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 2-[(3S,4R)-4-(3-fluorophenyl)-1-(phenylmethyl)-3-pyrrolidinyl]-6-(1H-pyrazol-4-yl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 133.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 9.73
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 67.90
ACD/KOC (pH 7.4): 486.98
Polar Surface Area: 73 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 341.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement