ChemSpider 2D Image | N-Benzyl-2-({4-oxo-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-3,4-dihydro-2-quinazolinyl}sulfanyl)acetamide | C30H31N5O3S

N-Benzyl-2-({4-oxo-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-3,4-dihydro-2-quinazolinyl}sulfanyl)acetamide

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID3656411

More details:

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

Acetamide, 2-[[3,4-dihydro-4-oxo-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2-quinazolinyl]thio]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-2-({4-oxo-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-3,4-dihydro-2-chinazolinyl}sulfanyl)acetamid [German] [ACD/IUPAC Name]
N-Benzyl-2-({4-oxo-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-3,4-dihydro-2-quinazolinyl}sulfanyl)acetamide [ACD/IUPAC Name]
N-Benzyl-2-({4-oxo-3-[3-oxo-3-(4-phényl-1-pipérazinyl)propyl]-3,4-dihydro-2-quinazolinyl}sulfanyl)acétamide [French] [ACD/IUPAC Name]
N-benzyl-2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}thio)acetamide

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

ChemDiv1_013331 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 156.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.67
ACD/KOC (pH 5.5): 1086.26
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 123.45
ACD/KOC (pH 7.4): 1093.19
Polar Surface Area: 111 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 420.4±7.0 cm3

Click to predict properties on the Chemicalize site


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