ChemSpider 2D Image | BMS-346567 | C33H42N4O5S

BMS-346567

  • Molecular FormulaC33H42N4O5S
  • Average mass606.775 Da
  • Monoisotopic mass606.287598 Da
  • ChemSpider ID32697735

More details:






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

[1,1'-Biphenyl]-2-sulfonamide, 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.5]dec-1-en-3-yl)methyl]-N-(4,5-dimethyl-3-isoxazolyl)-2'-(ethoxymethyl)- [ACD/Index Name]
4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.5]dec-1-en-3-yl)methyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2'-(ethoxymethyl)-2-biphenylsulfonamid [German] [ACD/IUPAC Name]
4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.5]dec-1-en-3-yl)methyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2'-(ethoxymethyl)-2-biphenylsulfonamide [ACD/IUPAC Name]
4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.5]déc-1-én-3-yl)méthyl]-N-(4,5-diméthyl-1,2-oxazol-3-yl)-2'-(éthoxyméthyl)-2-biphénylsulfonamide [French] [ACD/IUPAC Name]
953807-31-3 [RN]
BMS-346567

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

55398DW137 [DBID]
UNII:55398DW137 [DBID]
UNII-55398DW137 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 753.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.4±35.7 °C
Index of Refraction: 1.622
Molar Refractivity: 168.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18353.29
ACD/KOC (pH 5.5): 38897.65
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 5701.42
ACD/KOC (pH 7.4): 12083.48
Polar Surface Area: 122 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 477.6±7.0 cm3

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