ChemSpider 2D Image | 1-[(6,7-Dimethoxy-2-oxo-1,2-dihydro-3-quinolinyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-thienylmethyl)thiourea | C28H31N3O5S2

1-[(6,7-Dimethoxy-2-oxo-1,2-dihydro-3-quinolinyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-thienylmethyl)thiourea

  • Molecular FormulaC28H31N3O5S2
  • Average mass553.693 Da
  • Monoisotopic mass553.170532 Da
  • ChemSpider ID2428452

More details:

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

1-[(6,7-Dimethoxy-2-oxo-1,2-dihydro-3-chinolinyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-thienylmethyl)thioharnstoff [German] [ACD/IUPAC Name]
1-[(6,7-Diméthoxy-2-oxo-1,2-dihydro-3-quinoléinyl)méthyl]-3-[2-(3,4-diméthoxyphényl)éthyl]-1-(2-thiénylméthyl)thiourée [French] [ACD/IUPAC Name]
1-[(6,7-Dimethoxy-2-oxo-1,2-dihydro-3-quinolinyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-thienylmethyl)thiourea [ACD/IUPAC Name]
Thiourea, N-[(1,2-dihydro-6,7-dimethoxy-2-oxo-3-quinolinyl)methyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-thienylmethyl)- [ACD/Index Name]

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

ASN 03778878 [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: 1.623
Molar Refractivity: 153.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 906.64
ACD/KOC (pH 5.5): 4555.38
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 903.16
ACD/KOC (pH 7.4): 4537.86
Polar Surface Area: 142 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 435.1±3.0 cm3

Click to predict properties on the Chemicalize site


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