ChemSpider 2D Image | 3-[2-(3,4-Dimethoxyphenyl)ethyl]-1-[3-(dimethylamino)propyl]-1-[(7-methoxy-2-oxo-1,2-dihydro-3-quinolinyl)methyl]thiourea | C27H36N4O4S

3-[2-(3,4-Dimethoxyphenyl)ethyl]-1-[3-(dimethylamino)propyl]-1-[(7-methoxy-2-oxo-1,2-dihydro-3-quinolinyl)methyl]thiourea

  • Molecular FormulaC27H36N4O4S
  • Average mass512.664 Da
  • Monoisotopic mass512.245728 Da
  • ChemSpider ID2436988

More details:

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

3-[2-(3,4-Dimethoxyphenyl)ethyl]-1-[3-(dimethylamino)propyl]-1-[(7-methoxy-2-oxo-1,2-dihydro-3-chinolinyl)methyl]thioharnstoff [German] [ACD/IUPAC Name]
3-[2-(3,4-Diméthoxyphényl)éthyl]-1-[3-(diméthylamino)propyl]-1-[(7-méthoxy-2-oxo-1,2-dihydro-3-quinoléinyl)méthyl]thiourée [French] [ACD/IUPAC Name]
3-[2-(3,4-Dimethoxyphenyl)ethyl]-1-[3-(dimethylamino)propyl]-1-[(7-methoxy-2-oxo-1,2-dihydro-3-quinolinyl)methyl]thiourea [ACD/IUPAC Name]
Thiourea, N-[(1,2-dihydro-7-methoxy-2-oxo-3-quinolinyl)methyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(dimethylamino)propyl]- [ACD/Index Name]

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

ASN 04365890 [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: 1.588
Molar Refractivity: 146.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 15.72
Polar Surface Area: 107 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 434.2±3.0 cm3

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