ChemSpider 2D Image | 2-{[4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl]amino}-2-oxoethyl 3-hexyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylate | C31H30N4O4S

2-{[4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl]amino}-2-oxoethyl 3-hexyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylate

  • Molecular FormulaC31H30N4O4S
  • Average mass554.659 Da
  • Monoisotopic mass554.198792 Da
  • ChemSpider ID1811958

More details:

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

1-Phthalazinecarboxylic acid, 3-hexyl-3,4-dihydro-4-oxo-, 2-[[4-(6-methyl-2-benzothiazolyl)phenyl]amino]-2-oxoethyl ester [ACD/Index Name]
2-{[4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl]amino}-2-oxoethyl 3-hexyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylate [ACD/IUPAC Name]
2-{[4-(6-Methyl-1,3-benzothiazol-2-yl)phenyl]amino}-2-oxoethyl-3-hexyl-4-oxo-3,4-dihydro-1-phthalazincarboxylat [German] [ACD/IUPAC Name]
3-Hexyl-4-oxo-3,4-dihydro-1-phtalazinecarboxylate de 2-{[4-(6-méthyl-1,3-benzothiazol-2-yl)phényl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]

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

ZINC03311983 [DBID]

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: 157.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 6.69
ACD/BCF (pH 5.5): 71218.91
ACD/KOC (pH 5.5): 103528.16
ACD/LogD (pH 7.4): 6.69
ACD/BCF (pH 7.4): 71221.73
ACD/KOC (pH 7.4): 103532.26
Polar Surface Area: 129 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 424.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement