Found 3 results

Search term: MF = 'C_{33}H_{45}F_{3}N_{4}O_{6}'
ChemSpider 2D Image | N-[(3S,9R,10S)-9-[[[anilino(oxo)methyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide | C33H45F3N4O6

N-[(3S,9R,10S)-9-[[[anilino(oxo)methyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide

  • Molecular FormulaC33H45F3N4O6
  • Average mass650.729 Da
  • Monoisotopic mass650.329102 Da
  • ChemSpider ID34232542

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4,4,4-Trifluor-N-[(2S,8R,9S)-11-[(2R)-1-hydroxy-2-propanyl]-2,9-dimethyl-8-{[methyl(phenylcarbamoyl)amino]methyl}-12-oxo-3,4,5,6,9,10,11,12-octahydro-2H,8H-1,7,11-benzodioxazacyclotetradecin-14-yl]but anamid [German] [ACD/IUPAC Name]
4,4,4-Trifluoro-N-[(2S,8R,9S)-11-[(2R)-1-hydroxy-2-propanyl]-2,9-dimethyl-8-{[methyl(phenylcarbamoyl)amino]methyl}-12-oxo-3,4,5,6,9,10,11,12-octahydro-2H,8H-1,7,11-benzodioxazacyclotetradecin-14-yl]bu tanamide [ACD/IUPAC Name]
4,4,4-Trifluoro-N-[(2S,8R,9S)-11-[(2R)-1-hydroxy-2-propanyl]-2,9-diméthyl-8-{[méthyl(phénylcarbamoyl)amino]méthyl}-12-oxo-3,4,5,6,9,10,11,12-octahydro-2H,8H-1,7,11-benzodioxazacyclotétradécin-14-yl]bu tanamide [French] [ACD/IUPAC Name]
Butanamide, 4,4,4-trifluoro-N-[(2S,8R,9S)-3,4,5,6,9,10,11,12-octahydro-11-[(1R)-2-hydroxy-1-methylethyl]-2,9-dimethyl-8-[[methyl[(phenylamino)carbonyl]amino]methyl]-12-oxo-2H,8H-1,7,11-benzodioxaazacy clotetradecin-14-yl]- [ACD/Index Name]
N-[(3S,9R,10S)-9-[[[anilino(oxo)methyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 821.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.2±3.0 kJ/mol
Flash Point: 450.9±34.3 °C
Index of Refraction: 1.535
Molar Refractivity: 168.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 636.14
ACD/KOC (pH 5.5): 3534.93
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 636.16
ACD/KOC (pH 7.4): 3535.03
Polar Surface Area: 120 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 542.2±3.0 cm3

Click to predict properties on the Chemicalize site


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