ChemSpider 2D Image | (4S,5R)-3-(4-Chlorophenyl)-7-methyl-4-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.5]dec-2-en-10-one | C21H21ClN2O2

(4S,5R)-3-(4-Chlorophenyl)-7-methyl-4-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.5]dec-2-en-10-one

  • Molecular FormulaC21H21ClN2O2
  • Average mass368.857 Da
  • Monoisotopic mass368.129150 Da
  • ChemSpider ID21195605

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,5R)-3-(4-Chlorophenyl)-7-methyl-4-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.5]dec-2-en-10-one [ACD/IUPAC Name]
(4S,5R)-3-(4-Chlorophényl)-7-méthyl-4-(4-méthylphényl)-1-oxa-2,7-diazaspiro[4.5]déc-2-én-10-one [French] [ACD/IUPAC Name]
(4S,5R)-3-(4-Chlorphenyl)-7-methyl-4-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.5]dec-2-en-10-on [German] [ACD/IUPAC Name]
1-Oxa-2,7-diazaspiro[4.5]dec-2-en-10-one, 3-(4-chlorophenyl)-7-methyl-4-(4-methylphenyl)-, (4S,5R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.2±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 103.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 3.70
ACD/KOC (pH 5.5): 19.20
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 188.15
ACD/KOC (pH 7.4): 975.50
Polar Surface Area: 42 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 288.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement