ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-ylmethyl)-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide | C30H31N5O5S

3-(1,3-Benzodioxol-5-ylmethyl)-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide

  • Molecular FormulaC30H31N5O5S
  • Average mass573.663 Da
  • Monoisotopic mass573.204590 Da
  • ChemSpider ID2723634

More details:

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

3-(1,3-Benzodioxol-5-ylmethyl)-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-chinazolincarboxamid [German] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-ylmethyl)-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-ylméthyl)-N-(4-{[2-(diéthylamino)éthyl]carbamoyl}phényl)-4-oxo-2-thioxo-1,2,3,4-tétrahydro-7-quinazolinecarboxamide [French] [ACD/IUPAC Name]
7-Quinazolinecarboxamide, 3-(1,3-benzodioxol-5-ylmethyl)-N-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-1,2,3,4-tetrahydro-4-oxo-2-thioxo- [ACD/Index Name]

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

ChemDiv1_013929 [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: 1.700
Molar Refractivity: 157.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.53
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 15.94
Polar Surface Area: 144 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 407.0±5.0 cm3

Click to predict properties on the Chemicalize site


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