ChemSpider 2D Image | BTS 74,398 | C19H29Cl2N3OS

BTS 74,398

  • Molecular FormulaC19H29Cl2N3OS
  • Average mass418.424 Da
  • Monoisotopic mass417.140839 Da
  • ChemSpider ID26325181

More details:






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

1-([1-(3,4-dichlorophenyl)cyclobutyl]-2-(3-diaminethylaminopropylthio)ethanone
2-({3-[Bis(2-aminoethyl)amino]propyl}sulfanyl)-1-[1-(3,4-dichlorophenyl)cyclobutyl]ethanone [ACD/IUPAC Name]
2-({3-[Bis(2-aminoéthyl)amino]propyl}sulfanyl)-1-[1-(3,4-dichlorophényl)cyclobutyl]éthanone [French] [ACD/IUPAC Name]
2-({3-[Bis(2-aminoethyl)amino]propyl}sulfanyl)-1-[1-(3,4-dichlorphenyl)cyclobutyl]ethanon [German] [ACD/IUPAC Name]
548491-50-5 [RN]
BTS 74,398 [Wiki]
BTS-74398
Ethanone, 2-[[3-[bis(2-aminoethyl)amino]propyl]thio]-1-[1-(3,4-dichlorophenyl)cyclobutyl]- [ACD/Index Name]
I3W0WCC63A
UNII:I3W0WCC63A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.7±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 113.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 332.9±3.0 cm3

Click to predict properties on the Chemicalize site





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