ChemSpider 2D Image | N-sec-Butyl-1-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide | C27H32N6O3S

N-sec-Butyl-1-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

  • Molecular FormulaC27H32N6O3S
  • Average mass520.646 Da
  • Monoisotopic mass520.225647 Da
  • ChemSpider ID29038958

More details:

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

[1,2,4]Triazolo[4,3-a]quinazoline-8-carboxamide, 1-[[2-[(3,4-dimethylphenyl)amino]-2-oxoethyl]thio]-4,5-dihydro-N-(1-methylpropyl)-5-oxo-4-propyl- [ACD/Index Name]
N-sec-Butyl-1-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]chinazolin-8-carboxamid [German] [ACD/IUPAC Name]
N-sec-Butyl-1-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide [ACD/IUPAC Name]
N-sec-Butyl-1-({2-[(3,4-diméthylphényl)amino]-2-oxoéthyl}sulfanyl)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide [French] [ACD/IUPAC Name]
1111237-21-8 [RN]
MFCD27132567
N-(butan-2-yl)-1-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(sec-butyl)-1-((2-((3,4-dimethylphenyl)amino)-2-oxoethyl)thio)-5-oxo-4-propyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(sec-butyl)-1-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}thio)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-butan-2-yl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

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: 1.663
Molar Refractivity: 146.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 402.63
ACD/KOC (pH 5.5): 2547.92
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 402.64
ACD/KOC (pH 7.4): 2548.04
Polar Surface Area: 135 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 395.0±7.0 cm3

Click to predict properties on the Chemicalize site


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