ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]thiourea | C30H29N3O7S

1-(1,3-Benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]thiourea

  • Molecular FormulaC30H29N3O7S
  • Average mass575.632 Da
  • Monoisotopic mass575.172607 Da
  • ChemSpider ID2427100

More details:

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

1-(1,3-Benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]chinolin-7-yl)methyl]thioharnstoff [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-ylméthyl)-3-[2-(3,4-diméthoxyphényl)éthyl]-1-[(6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinoléin-7-yl)méthyl]thiourée [French] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]thiourea [ACD/IUPAC Name]
Thiourea, N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,6-dihydro-6-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)methyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]- [ACD/Index Name]

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

ASN 03776104 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 154.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1030.68
ACD/KOC (pH 5.5): 4993.32
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1030.42
ACD/KOC (pH 7.4): 4992.03
Polar Surface Area: 132 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 420.0±3.0 cm3

Click to predict properties on the Chemicalize site


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