ChemSpider 2D Image | N-[(5S,6R,9R)-8-(3-chlorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide | C28H33ClN4O7S

N-[(5S,6R,9R)-8-(3-chlorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide

  • Molecular FormulaC28H33ClN4O7S
  • Average mass605.102 Da
  • Monoisotopic mass604.175842 Da
  • ChemSpider ID58157752

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Isoxazolecarboxamide, N-[(3R,6R,7S)-4-[(3-chlorophenyl)sulfonyl]-3,4,5,6,7,8,9,10-octahydro-7-methoxy-3,6,9-trimethyl-10-oxo-2H-1,4,9-benzoxadiazacyclododecin-13-yl]-5-methyl- [ACD/Index Name]
N-[(5S,6R,9R)-8-(3-chlorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-{(3R,6R,7S)-4-[(3-Chlorophenyl)sulfonyl]-7-methoxy-3,6,9-trimethyl-10-oxo-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododecin-13-yl}-5-methyl-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
N-{(3R,6R,7S)-4-[(3-Chlorophényl)sulfonyl]-7-méthoxy-3,6,9-triméthyl-10-oxo-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododécin-13-yl}-5-méthyl-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
N-{(3R,6R,7S)-4-[(3-Chlorphenyl)sulfonyl]-7-methoxy-3,6,9-trimethyl-10-oxo-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododecin-13-yl}-5-methyl-1,2-oxazol-3-carboxamid [German] [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: 1.626
Molar Refractivity: 153.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 444.52
ACD/KOC (pH 5.5): 2735.02
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 444.11
ACD/KOC (pH 7.4): 2732.54
Polar Surface Area: 140 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 433.1±5.0 cm3

Click to predict properties on the Chemicalize site


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