ChemSpider 2D Image | 3-(Butylsulfanyl)-6-[3-chloro-5-methoxy-4-(propionyloxy)phenyl]-7-propionyl-6,7-dihydro[1,2,4]triazino[1,6-c]quinazolin-5-ium-1-olate | C27H29ClN4O5S

3-(Butylsulfanyl)-6-[3-chloro-5-methoxy-4-(propionyloxy)phenyl]-7-propionyl-6,7-dihydro[1,2,4]triazino[1,6-c]quinazolin-5-ium-1-olate

  • Molecular FormulaC27H29ClN4O5S
  • Average mass557.061 Da
  • Monoisotopic mass556.154724 Da
  • ChemSpider ID30663415

More details:

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

[1,2,4]Triazino[1,6-c]quinazolin-5-ium, 3-(butylthio)-6-[3-chloro-5-methoxy-4-(1-oxopropoxy)phenyl]-6,7-dihydro-1-hydroxy-7-(1-oxopropyl)-, inner salt [ACD/Index Name]
3-(Butylsulfanyl)-6-[3-chlor-5-methoxy-4-(propionyloxy)phenyl]-7-propionyl-6,7-dihydro[1,2,4]triazino[1,6-c]chinazolin-5-ium-1-olat [German] [ACD/IUPAC Name]
3-(Butylsulfanyl)-6-[3-chloro-5-methoxy-4-(propionyloxy)phenyl]-7-propionyl-6,7-dihydro[1,2,4]triazino[1,6-c]quinazolin-5-ium-1-olate [ACD/IUPAC Name]
3-(Butylsulfanyl)-6-[3-chloro-5-méthoxy-4-(propionyloxy)phényl]-7-propionyl-6,7-dihydro[1,2,4]triazino[1,6-c]quinazolin-5-ium-1-olate [French] [ACD/IUPAC Name]
3-(butylthio)-6-(3-chloro-5-methoxy-4-(propionyloxy)phenyl)-7-propionyl-6,7-dihydro-[1,2,4]triazino[1,6-c]quinazolin-5-ium-1-olate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 134 Å2
Polarizability:
Surface Tension:
Molar Volume:

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