ChemSpider 2D Image | 3-(4-Butylphenyl)-1-[2-(4-morpholinyl)ethyl]-1-[(7-oxo-2,3,6,7-tetrahydro[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea | C29H36N4O4S

3-(4-Butylphenyl)-1-[2-(4-morpholinyl)ethyl]-1-[(7-oxo-2,3,6,7-tetrahydro[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea

  • Molecular FormulaC29H36N4O4S
  • Average mass536.685 Da
  • Monoisotopic mass536.245728 Da
  • ChemSpider ID2435693

More details:

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

3-(4-Butylphenyl)-1-[2-(4-morpholinyl)ethyl]-1-[(7-oxo-2,3,6,7-tetrahydro[1,4]dioxino[2,3-g]chinolin-8-yl)methyl]thioharnstoff [German] [ACD/IUPAC Name]
3-(4-Butylphényl)-1-[2-(4-morpholinyl)éthyl]-1-[(7-oxo-2,3,6,7-tétrahydro[1,4]dioxino[2,3-g]quinoléin-8-yl)méthyl]thiourée [French] [ACD/IUPAC Name]
3-(4-Butylphenyl)-1-[2-(4-morpholinyl)ethyl]-1-[(7-oxo-2,3,6,7-tetrahydro[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea [ACD/IUPAC Name]
Thiourea, N'-(4-butylphenyl)-N-[2-(4-morpholinyl)ethyl]-N-[(2,3,6,7-tetrahydro-7-oxo-1,4-dioxino[2,3-g]quinolin-8-yl)methyl]- [ACD/Index Name]

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

ASN 04259863 [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: 1.630
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 195.33
ACD/KOC (pH 5.5): 951.00
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 961.90
ACD/KOC (pH 7.4): 4683.07
Polar Surface Area: 107 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 426.1±3.0 cm3

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