ChemSpider 2D Image | 2-[(4'-Chloro-4-biphenylyl)methyl]-5-{[1-(2-furylmethyl)-1H-1,2,3-triazol-4-yl]methyl}-3-isopropyl-1,2,5-thiadiazepan-4-one 1,1-dioxide | C28H30ClN5O4S

2-[(4'-Chloro-4-biphenylyl)methyl]-5-{[1-(2-furylmethyl)-1H-1,2,3-triazol-4-yl]methyl}-3-isopropyl-1,2,5-thiadiazepan-4-one 1,1-dioxide

  • Molecular FormulaC28H30ClN5O4S
  • Average mass568.087 Da
  • Monoisotopic mass567.170715 Da
  • ChemSpider ID26641134

More details:

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

1,1-Dioxyde de 2-[(4'-chloro-4-biphénylyl)méthyl]-5-{[1-(2-furylméthyl)-1H-1,2,3-triazol-4-yl]méthyl}-3-isopropyl-1,2,5-thiadiazépan-4-one [French] [ACD/IUPAC Name]
1,2,5-Thiadiazepin-4(5H)-one, 2-[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]-5-[[1-(2-furanylmethyl)-1H-1,2,3-triazol-4-yl]methyl]tetrahydro-3-(1-methylethyl)-, 1,1-dioxide [ACD/Index Name]
2-[(4'-Chlor-4-biphenylyl)methyl]-5-{[1-(2-furylmethyl)-1H-1,2,3-triazol-4-yl]methyl}-3-isopropyl-1,2,5-thiadiazepan-4-on-1,1-dioxid [German] [ACD/IUPAC Name]
2-[(4'-Chloro-4-biphenylyl)methyl]-5-{[1-(2-furylmethyl)-1H-1,2,3-triazol-4-yl]methyl}-3-isopropyl-1,2,5-thiadiazepan-4-one 1,1-dioxide [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 787.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 429.7±35.7 °C
Index of Refraction: 1.662
Molar Refractivity: 153.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 697.84
ACD/KOC (pH 5.5): 3777.14
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 697.85
ACD/KOC (pH 7.4): 3777.16
Polar Surface Area: 110 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 413.5±7.0 cm3

Click to predict properties on the Chemicalize site


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