ChemSpider 2D Image | N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide | C33H42N4O4S

N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide

  • Molecular FormulaC33H42N4O4S
  • Average mass590.776 Da
  • Monoisotopic mass590.292664 Da
  • ChemSpider ID28661052

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, N-[(2R,3R)-2-[[(cyclohexylmethyl)methylamino]methyl]-3,4,5,6-tetrahydro-5-[(1S)-2-hydroxy-1-methylethyl]-3-methyl-6-oxo-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)- [ACD/Index Name]
N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
N-{(2R,3R)-2-{[(Cyclohexylmethyl)(methyl)amino]methyl}-5-[(2S)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl}-4-(1,3-thiazol-2-yl)benzamid [German] [ACD/IUPAC Name]
N-{(2R,3R)-2-{[(Cyclohexylmethyl)(methyl)amino]methyl}-5-[(2S)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl}-4-(1,3-thiazol-2-yl)benzamide [ACD/IUPAC Name]
N-{(2R,3R)-2-{[(Cyclohexylméthyl)(méthyl)amino]méthyl}-5-[(2S)-1-hydroxy-2-propanyl]-3-méthyl-6-oxo-3,4,5,6-tétrahydro-2H-1,5-benzoxazocin-10-yl}-4-(1,3-thiazol-2-yl)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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 167.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 7.41
ACD/KOC (pH 5.5): 23.50
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 285.28
ACD/KOC (pH 7.4): 904.88
Polar Surface Area: 123 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 490.6±3.0 cm3

Click to predict properties on the Chemicalize site


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