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

1-({2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-isobutyl-N-isopropyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

  • Molecular FormulaC27H32N6O3S
  • Average mass520.646 Da
  • Monoisotopic mass520.225647 Da
  • ChemSpider ID29039031

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-[(3,5-dimethylphenyl)amino]-2-oxoethyl]thio]-4,5-dihydro-N-(1-methylethyl)-4-(2-methylpropyl)-5-oxo- [ACD/Index Name]
1-({2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-isobutyl-N-isopropyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]chinazolin-8-carboxamid [German] [ACD/IUPAC Name]
1-({2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-isobutyl-N-isopropyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide [ACD/IUPAC Name]
1-({2-[(3,5-Diméthylphényl)amino]-2-oxoéthyl}sulfanyl)-4-isobutyl-N-isopropyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide [French] [ACD/IUPAC Name]
1-((2-((3,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-isobutyl-N-isopropyl-5-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}thio)-4-isobutyl-N-isopropyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1111221-76-1 [RN]

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: 1.664
Molar Refractivity: 146.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 297.67
ACD/KOC (pH 5.5): 2052.57
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 297.67
ACD/KOC (pH 7.4): 2052.61
Polar Surface Area: 135 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 394.1±7.0 cm3

Click to predict properties on the Chemicalize site


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