ChemSpider 2D Image | 1-[(3-Cyclohexyl-4-oxo-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-3,4-dihydro-7-quinazolinyl)carbonyl]-4-piperidinecarboxamide | C27H35N5O4S

1-[(3-Cyclohexyl-4-oxo-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-3,4-dihydro-7-quinazolinyl)carbonyl]-4-piperidinecarboxamide

  • Molecular FormulaC27H35N5O4S
  • Average mass525.663 Da
  • Monoisotopic mass525.240967 Da
  • ChemSpider ID3289313

More details:

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

1-[(3-Cyclohexyl-4-oxo-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-3,4-dihydro-7-chinazolinyl)carbonyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-[(3-Cyclohexyl-4-oxo-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-3,4-dihydro-7-quinazolinyl)carbonyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
1-[(3-Cyclohexyl-4-oxo-2-{[2-oxo-2-(1-pyrrolidinyl)éthyl]sulfanyl}-3,4-dihydro-7-quinazolinyl)carbonyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[[3-cyclohexyl-3,4-dihydro-4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-7-quinazolinyl]carbonyl]- [ACD/Index Name]

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

ChemDiv1_014067 [DBID]
EU-0094849 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 814.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 446.6±37.1 °C
Index of Refraction: 1.717
Molar Refractivity: 142.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.11
ACD/KOC (pH 5.5): 182.30
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.11
ACD/KOC (pH 7.4): 182.30
Polar Surface Area: 142 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 361.6±7.0 cm3

Click to predict properties on the Chemicalize site


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