ChemSpider 2D Image | N-{[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino](phenyl)acetyl}threonine | C37H48N4O8S2

N-{[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino](phenyl)acetyl}threonine

  • Molecular FormulaC37H48N4O8S2
  • Average mass740.929 Da
  • Monoisotopic mass740.291382 Da
  • ChemSpider ID8322517

More details:






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

N-{[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino](phenyl)acetyl}threonin [German] [ACD/IUPAC Name]
N-{[({[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl]oxy}acetyl)amino](phenyl)acetyl}threonine [ACD/IUPAC Name]
N-{2-[(2-{[3,3-Dibutyl-7-(méthylsulfanyl)-1,1-dioxydo-5-phényl-2,3,4,5-tétrahydro-1,2,5-benzothiadiazépin-8-yl]oxy}acétyl)amino]-2-phénylacétyl}thréonine [French] [ACD/IUPAC Name]
Threonine, N-[2-[[2-[[3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,2,5-benzothiadiazepin-8-yl]oxy]acetyl]amino]-2-phenylacetyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 198.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 20.57
ACD/KOC (pH 5.5): 64.63
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 3.42
Polar Surface Area: 208 Å2
Polarizability: 78.8±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 550.8±5.0 cm3

Click to predict properties on the Chemicalize site






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