ChemSpider 2D Image | 2-{[3-(3-Isopropoxypropyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N-(1H-1,2,4-triazol-3-yl)acetamide | C18H22N6O3S

2-{[3-(3-Isopropoxypropyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N-(1H-1,2,4-triazol-3-yl)acetamide

  • Molecular FormulaC18H22N6O3S
  • Average mass402.471 Da
  • Monoisotopic mass402.147400 Da
  • ChemSpider ID21781278

More details:






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

2-{[3-(3-Isopropoxypropyl)-4-oxo-3,4-dihydro-2-chinazolinyl]sulfanyl}-N-(1H-1,2,4-triazol-3-yl)acetamid [German] [ACD/IUPAC Name]
2-{[3-(3-Isopropoxypropyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N-(1H-1,2,4-triazol-3-yl)acetamide [ACD/IUPAC Name]
2-{[3-(3-Isopropoxypropyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N-(1H-1,2,4-triazol-3-yl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[3,4-dihydro-3-[3-(1-methylethoxy)propyl]-4-oxo-2-quinazolinyl]thio]-N-4H-1,2,4-triazol-3-yl- [ACD/Index Name]
1115976-58-3 [RN]
2-((3-(3-isopropoxypropyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(4H-1,2,4-triazol-3-yl)acetamide
2-({4-oxo-3-[3-(propan-2-yloxy)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
2-[3-(3-Isopropoxy-propyl)-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl]-N-(4H-[1,2,4]triazol-3-yl)-acetamide
2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
6-(2-azepan-1-yl-2-oxoethyl)-1,3-dimethyl-1,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.52
ACD/KOC (pH 5.5): 102.37
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.46
ACD/KOC (pH 7.4): 101.06
Polar Surface Area: 138 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 284.9±7.0 cm3

Click to predict properties on the Chemicalize site






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