ChemSpider 2D Image | N-[(6S)-15-Methoxy-5,12-dioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,4,11-benzoxadiazacyclotetradecin-6-yl]-N~2~-(2-thienylsulfonyl)glycinamide | C22H28N4O7S2

N-[(6S)-15-Methoxy-5,12-dioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,4,11-benzoxadiazacyclotetradecin-6-yl]-N2-(2-thienylsulfonyl)glycinamide

  • Molecular FormulaC22H28N4O7S2
  • Average mass524.610 Da
  • Monoisotopic mass524.139954 Da
  • ChemSpider ID115282333

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, N-[(6S)-3,4,5,6,7,8,9,10,11,12-decahydro-15-methoxy-5,12-dioxo-2H-1,4,11-benzoxadiazacyclotetradecin-6-yl]-2-[(2-thienylsulfonyl)amino]- [ACD/Index Name]
N-[(6S)-15-Methoxy-5,12-dioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,4,11-benzoxadiazacyclotetradecin-6-yl]-N2-(2-thienylsulfonyl)glycinamid [German] [ACD/IUPAC Name]
N-[(6S)-15-Methoxy-5,12-dioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,4,11-benzoxadiazacyclotetradecin-6-yl]-N2-(2-thienylsulfonyl)glycinamide [ACD/IUPAC Name]
N-[(6S)-15-Méthoxy-5,12-dioxo-3,4,5,6,7,8,9,10,11,12-décahydro-2H-1,4,11-benzoxadiazacyclotétradécin-6-yl]-N2-(2-thiénylsulfonyl)glycinamide [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.65
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.55
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.54
Polar Surface Area: 189 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 368.8±5.0 cm3

Click to predict properties on the Chemicalize site


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