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ChemSpider 2D Image | 3-[2-(3,4-Dimethoxyphenyl)ethyl]-1-(4-methoxybenzyl)-1-[(7-oxo-2,3,6,7-tetrahydro[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea | C31H33N3O6S


  • Molecular FormulaC31H33N3O6S
  • Average mass575.675 Da
  • Monoisotopic mass575.208984 Da
  • ChemSpider ID2427488

More details:

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

3-[2-(3,4-Dimethoxyphenyl)ethyl]-1-(4-methoxybenzyl)-1-[(7-oxo-2,3,6,7-tetrahydro[1,4]dioxino[2,3-g]chinolin-8-yl)methyl]thioharnstoff [German] [ACD/IUPAC Name]
3-[2-(3,4-Diméthoxyphényl)éthyl]-1-(4-méthoxybenzyl)-1-[(7-oxo-2,3,6,7-tétrahydro[1,4]dioxino[2,3-g]quinoléin-8-yl)méthyl]thiourée [French] [ACD/IUPAC Name]
3-[2-(3,4-Dimethoxyphenyl)ethyl]-1-(4-methoxybenzyl)-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-(3,4-dimethoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-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 03776686 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 159.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1428.25
ACD/KOC (pH 5.5): 6306.71
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1427.92
ACD/KOC (pH 7.4): 6305.26
Polar Surface Area: 123 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 450.6±3.0 cm3

Click to predict properties on the Chemicalize site