ChemSpider 2D Image | FINERENONE | C21H22N4O3

FINERENONE

  • Molecular FormulaC21H22N4O3
  • Average mass378.424 Da
  • Monoisotopic mass378.169189 Da
  • ChemSpider ID28669387
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-4-(4-Cyan-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridin-3-carboxamid [German] [ACD/IUPAC Name]
(4S)-4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide [ACD/IUPAC Name]
(4S)-4-(4-Cyano-2-méthoxyphényl)-5-éthoxy-2,8-diméthyl-1,4-dihydro-1,6-naphtyridine-3-carboxamide [French] [ACD/IUPAC Name]
1,6-Naphthyridine-3-carboxamide, 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-, (4S)- [ACD/Index Name]
1050477-31-0 [RN]
BAY 94-8862
FINERENONE [USAN]
(4S)?-4-?(4-?cyano-?2-?methoxyphenyl)?-?5-?ethoxy-?1,?4-?dihydro-?2,?8-?dimethyl-1,?6-?Naphthyridine-?3-?carboxamide?
UNII:DE2O63YV8R
UNII-DE2O63YV8R

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 554.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.3±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 14.64
ACD/KOC (pH 5.5): 149.55
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 70.92
ACD/KOC (pH 7.4): 724.64
Polar Surface Area: 110 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 292.8±5.0 cm3

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