ChemSpider 2D Image | Mitratapide | C36H41ClN8O4S

Mitratapide

  • Molecular FormulaC36H41ClN8O4S
  • Average mass717.280 Da
  • Monoisotopic mass716.265991 Da
  • ChemSpider ID184740
  • defined stereocentres - 3 of 3 defined stereocentres


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

179602-65-4 [RN]
2-((2R)-Butan-2-yl)-4-(4-(4-(4-(((2S,4R)-2-(4-chlorophenyl)-2-((4-methyl-4H-1,2,4-triazol-3-ylsulfanyl)methyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-[(2R)-2-Butanyl]-4-{4-[4-(4-{[(2S,4R)-2-(4-chlorophenyl)-2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-o ne [ACD/IUPAC Name]
2-[(2R)-2-Butanyl]-4-{4-[4-(4-{[(2S,4R)-2-(4-chlorophényl)-2-{[(4-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]méthyl}-1,3-dioxolan-4-yl]méthoxy}phényl)-1-pipérazinyl]phényl}-2,4-dihydro-3H-1,2,4-triazol-3-o ne [French] [ACD/IUPAC Name]
2-[(2R)-2-Butanyl]-4-{4-[4-(4-{[(2S,4R)-2-(4-chlorphenyl)-2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
3H-1,2,4-Triazol-3-one, 4-[4-[4-[4-[[(2S,4R)-2-(4-chlorophenyl)-2-[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl]-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-[(1R)-1-methylpro pyl]- [ACD/Index Name]
8299
FVW7T75XP4
L-Prolyl-L-leucine [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

R103757 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 869.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 479.8±37.1 °C
Index of Refraction: 1.678
Molar Refractivity: 197.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 273.49
ACD/KOC (pH 5.5): 926.35
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3139.24
ACD/KOC (pH 7.4): 10632.83
Polar Surface Area: 126 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 522.4±7.0 cm3

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