ChemSpider 2D Image | N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[2-({2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3(4H)-quinazolinyl]propanamide | C27H29N5O6S

N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[2-({2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3(4H)-quinazolinyl]propanamide

  • Molecular FormulaC27H29N5O6S
  • Average mass551.614 Da
  • Monoisotopic mass551.183838 Da
  • ChemSpider ID5048536

More details:

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

3(4H)-Quinazolinepropanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-oxo- [ACD/Index Name]
N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[2-({2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3(4H)-chinazolinyl]propanamid [German] [ACD/IUPAC Name]
N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[2-({2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3(4H)-quinazolinyl]propanamide [ACD/IUPAC Name]
N-[2-(3,4-Diméthoxyphényl)éthyl]-3-[2-({2-[(5-méthyl-1,2-oxazol-3-yl)amino]-2-oxoéthyl}sulfanyl)-4-oxo-3(4H)-quinazolinyl]propanamide [French] [ACD/IUPAC Name]
422286-93-9 [RN]
N-(3,4-dimethoxyphenethyl)-3-(2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-({2-[(5-methylisoxazol-3-yl)amino]-2-oxoethyl}thio)-4-oxoquinazolin-3(4H)-yl]propanamide

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

ChemDiv1_013689 [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: 1.645
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.40
ACD/KOC (pH 5.5): 342.55
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.40
ACD/KOC (pH 7.4): 342.52
Polar Surface Area: 161 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 405.3±7.0 cm3

Click to predict properties on the Chemicalize site


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