ChemSpider 2D Image | Dimethyl 2-[({[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}acetyl)amino]terephthalate | C25H26N6O6S

Dimethyl 2-[({[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}acetyl)amino]terephthalate

  • Molecular FormulaC25H26N6O6S
  • Average mass538.576 Da
  • Monoisotopic mass538.163452 Da
  • ChemSpider ID2254031

More details:

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

1,4-Benzenedicarboxylic acid, 2-[[2-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]thio]acetyl]amino]-, dimethyl ester [ACD/Index Name]
2-[(2-{[4-Anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}acétyl)amino]téréphtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 2-[({[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}acetyl)amino]terephthalate [ACD/IUPAC Name]
Dimethyl 2-[({[4-anilino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]sulfanyl}acetyl)amino]terephthalate
Dimethyl-2-[({[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}acetyl)amino]terephthalat [German] [ACD/IUPAC Name]
2-[2-(4-Morpholin-4-yl-6-phenylamino-[1,3,5]triazin-2-ylsulfanyl)-acetylamino]-terephthalic acid dimethyl ester
dimethyl 2-[({[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate
dimethyl 2-[({[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetyl)amino]terephthalate

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 320.95
ACD/KOC (pH 5.5): 2120.77
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 345.46
ACD/KOC (pH 7.4): 2282.73
Polar Surface Area: 170 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 78.7±5.0 dyne/cm
Molar Volume: 373.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement