ChemSpider 2D Image | [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl][3-({[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]sulfanyl}methyl)phenyl]methanone | C28H30ClN5O4S

[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl][3-({[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]sulfanyl}methyl)phenyl]methanone

  • Molecular FormulaC28H30ClN5O4S
  • Average mass568.087 Da
  • Monoisotopic mass567.170715 Da
  • ChemSpider ID22593813

More details:

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

[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl][3-({[4-chlor-6-(4-morpholinyl)-2-pyrimidinyl]sulfanyl}methyl)phenyl]methanon [German] [ACD/IUPAC Name]
[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl][3-({[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]sulfanyl}methyl)phenyl]methanone [ACD/IUPAC Name]
[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl][3-({[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]sulfanyl}méthyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl][3-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]phenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 762.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.0±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 151.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 157.69
ACD/KOC (pH 5.5): 977.76
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 423.34
ACD/KOC (pH 7.4): 2624.85
Polar Surface Area: 106 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 78.5±5.0 dyne/cm
Molar Volume: 390.4±5.0 cm3

Click to predict properties on the Chemicalize site


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