ChemSpider 2D Image | 1-({3-(2-Furylmethyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydro-7-quinazolinyl}carbonyl)-4-piperidinecarboxamide | C28H26N4O5S

1-({3-(2-Furylmethyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydro-7-quinazolinyl}carbonyl)-4-piperidinecarboxamide

  • Molecular FormulaC28H26N4O5S
  • Average mass530.595 Da
  • Monoisotopic mass530.162415 Da
  • ChemSpider ID3713050

More details:

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

1-({3-(2-Furylmethyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydro-7-chinazolinyl}carbonyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-({3-(2-Furylmethyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydro-7-quinazolinyl}carbonyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
1-({3-(2-Furylméthyl)-4-oxo-2-[(2-oxo-2-phényléthyl)sulfanyl]-3,4-dihydro-7-quinazolinyl}carbonyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[[3-(2-furanylmethyl)-3,4-dihydro-4-oxo-2-[(2-oxo-2-phenylethyl)thio]-7-quinazolinyl]carbonyl]- [ACD/Index Name]

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

ChemDiv1_013399 [DBID]
EU-0027913 [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: 823.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 451.6±37.1 °C
Index of Refraction: 1.700
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 26.03
ACD/KOC (pH 5.5): 358.76
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 26.03
ACD/KOC (pH 7.4): 358.76
Polar Surface Area: 152 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 373.3±7.0 cm3

Click to predict properties on the Chemicalize site


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