ChemSpider 2D Image | N-{1-[Bis(2-methoxyethyl)amino]-3-methyl-1-oxo-2-butanyl}-2-({2-[(cyclohexylmethyl)amino]-2-oxoethyl}sulfanyl)benzamide | C27H43N3O5S

N-{1-[Bis(2-methoxyethyl)amino]-3-methyl-1-oxo-2-butanyl}-2-({2-[(cyclohexylmethyl)amino]-2-oxoethyl}sulfanyl)benzamide

  • Molecular FormulaC27H43N3O5S
  • Average mass521.712 Da
  • Monoisotopic mass521.292358 Da
  • ChemSpider ID121622571

More details:

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

Benzamide, N-[1-[[bis(2-methoxyethyl)amino]carbonyl]-2-methylpropyl]-2-[[2-[(cyclohexylmethyl)amino]-2-oxoethyl]thio]- [ACD/Index Name]
N-{1-[Bis(2-methoxyethyl)amino]-3-methyl-1-oxo-2-butanyl}-2-({2-[(cyclohexylmethyl)amino]-2-oxoethyl}sulfanyl)benzamid [German] [ACD/IUPAC Name]
N-{1-[Bis(2-methoxyethyl)amino]-3-methyl-1-oxo-2-butanyl}-2-({2-[(cyclohexylmethyl)amino]-2-oxoethyl}sulfanyl)benzamide [ACD/IUPAC Name]
N-{1-[Bis(2-méthoxyéthyl)amino]-3-méthyl-1-oxo-2-butanyl}-2-({2-[(cyclohexylméthyl)amino]-2-oxoéthyl}sulfanyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 711.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 384.1±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 313.12
ACD/KOC (pH 5.5): 2128.32
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.12
ACD/KOC (pH 7.4): 2128.31
Polar Surface Area: 122 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 452.8±5.0 cm3

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