ChemSpider 2D Image | N~2~-(Adamantan-1-ylcarbamoyl)-N~2~-sec-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-thienylmethyl)glycinamide | C32H45N3O4S

N2-(Adamantan-1-ylcarbamoyl)-N2-sec-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-thienylmethyl)glycinamide

  • Molecular FormulaC32H45N3O4S
  • Average mass567.782 Da
  • Monoisotopic mass567.313049 Da
  • ChemSpider ID2901929

More details:

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

Acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-methylpropyl)[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]amino]-N-(2-thienylmethyl)- [ACD/Index Name]
N2-(Adamantan-1-ylcarbamoyl)-N2-sec-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-thienylmethyl)glycinamid [German] [ACD/IUPAC Name]
N2-(Adamantan-1-ylcarbamoyl)-N2-sec-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-thienylmethyl)glycinamide [ACD/IUPAC Name]
N2-(Adamantan-1-ylcarbamoyl)-N2-sec-butyl-N-[2-(3,4-diméthoxyphényl)éthyl]-N-(2-thiénylméthyl)glycinamide [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: 738.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.6±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 160.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11641.67
ACD/KOC (pH 5.5): 28316.70
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11641.58
ACD/KOC (pH 7.4): 28316.48
Polar Surface Area: 99 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 468.8±5.0 cm3

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