ChemSpider 2D Image | 2-{[3-(1,3-Benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide | C30H31N5O5S

2-{[3-(1,3-Benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide

  • Molecular FormulaC30H31N5O5S
  • Average mass573.663 Da
  • Monoisotopic mass573.204590 Da
  • ChemSpider ID2716528

More details:

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

2-{[3-(1,3-Benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-3,4-dihydro-2-chinazolinyl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamid [German] [ACD/IUPAC Name]
2-{[3-(1,3-Benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide [ACD/IUPAC Name]
2-{[3-(1,3-Benzodioxol-5-ylméthyl)-6-(4-morpholinyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N-[4-(diméthylamino)phényl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-[4-(dimethylamino)phenyl]- [ACD/Index Name]

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

EU-0094638 [DBID]

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: 1.686
Molar Refractivity: 156.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 23.04
ACD/KOC (pH 5.5): 242.17
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 65.93
ACD/KOC (pH 7.4): 693.08
Polar Surface Area: 121 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 412.2±7.0 cm3

Click to predict properties on the Chemicalize site


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