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

1-[2-(3-Methylphenyl)ethyl]-3-[3-(4-morpholinyl)propyl]-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 ID2427551

More details:

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

1-[2-(3-Methylphenyl)ethyl]-3-[3-(4-morpholinyl)propyl]-1-[(7-oxo-2,3,6,7-tetrahydro[1,4]dioxino[2,3-g]chinolin-8-yl)methyl]thioharnstoff [German] [ACD/IUPAC Name]
1-[2-(3-Méthylphényl)éthyl]-3-[3-(4-morpholinyl)propyl]-1-[(7-oxo-2,3,6,7-tétrahydro[1,4]dioxino[2,3-g]quinoléin-8-yl)méthyl]thiourée [French] [ACD/IUPAC Name]
1-[2-(3-Methylphenyl)ethyl]-3-[3-(4-morpholinyl)propyl]-1-[(7-oxo-2,3,6,7-tetrahydro[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea [ACD/IUPAC Name]
Thiourea, N-[2-(3-methylphenyl)ethyl]-N'-[3-(4-morpholinyl)propyl]-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 03776804 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 13.46
ACD/KOC (pH 5.5): 75.76
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 385.82
ACD/KOC (pH 7.4): 2171.40
Polar Surface Area: 107 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 431.7±3.0 cm3

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